Personalized Itinerary Planner and Abstract Bookweb.nano.cnr.it/heun/wp-content/uploads/2013/06/planner.pdf · Time Session Info 7:30 AM-11:30 AM, Regency II (Royal Hawaiian), Synchrotron

Personalized Itinerary Planner and Abstract Book

Pacifichem 2005

December 15 - 20, 2005

To make changes to your intinerary or view the full meeting schedule, visit http://pacifichem.abstractcentral.com:80

Saved Itinerary Name: heunLast Output: 27 Oct 2005

Thursday, December 15, 2005

Friday, December 16, 2005

Time Session Info

8:30 AM-11:30 AM, Kohala/Kona (Sheraton Waikiki), Imaging Probes of Spectroscopy andDynamics (#186) [1A]

8:30-9:10 AMCoincidence imaging study on (e,2e) reaction dynamics of H2 at largemomentum transfer M. Takahashi;

9:10-9:50 AMPhotoelectron imaging of negative ions and helium droplets D.Neumark;

9:50-10:10 AMVelocity map imaging of attosecond and femtosecond dynamics inatoms and small molecules in strong laser fields M. F. Kling;

10:10-10:50 AM Momentum imaging with intense laser pulses C. L. Cocke;

10:50-11:30 AMChemical bond breaking and formation in intense laser fields K.Yamanouchi;

1:00 PM-4:30 PM, Kohala/Kona (Sheraton Waikiki), Imaging Probes of Spectroscopy andDynamics (#186) [2P]

1:00-1:40 PMPhotodissociation and ionization of state-selected HBr and HCl H.Loock; C. Romanescu; S. Manzhos; D. Grebennikov;

1:40-2:20 PMEvidence for photolytic production of cyclic-N3 A. M. Wodtke; P.Samartzis; Y. Ji;

2:20-2:40 PMPhotodissociation of amino acid chromophores studied by multimassimaging technique M. Lin; C. Tseng; Y. Lee; C. K. Ni;

2:40-3:20 PMUnderstanding the photochemistry of atmospheric halogen sources,intermediates and reservoirs: Excited state dynamics and energypartitioning S. W. North; H. Kim; E. E. Greenwald; J. Park;

3:20-4:00 PM Imaging studies of weakly bound dimers H. Reisler;

4:00-4:20 PMFemtosecond photoelectron imaging of transient photochemicalintermediates F. E. Temps; H. Studzinski; F. Renth;

7:00 PM-8:00 PM, Ballroom (Sheraton Waikiki), Pacifichem 2005 Plenary Lecture

7:00-7:50 PM Seeing is believing S. Iijima;

Time Session Info

7:30 AM-11:30 AM, Regency II (Royal Hawaiian), Synchrotron Radiation Research in thePacific Rim and Emerging Techniques and Applications (#177) [1A]

7:40-8:20 AMOperational status and scientific resources of the Canadian LightSource W. Thomlinson;

8:00 AM-11:30 AM, Oahu Sheraton (Sheraton Waikiki), Space- and Time-resolved MolecularReaction Dynamics and Spectroscopy (#156) [1A]

8:10-8:50 AMFemtosecond laser-induced shockwave study on morphologicaldynamics of single living cells H. Masuhara; Y. Hosokawa; T. Tada;T. Asahi;


8:20-8:50 AMCurrent status of 3rd generation Pohang Light Source and newconstruction of 4th generation light source (free electron laser source)facility M. Ree; I. Ko;


8:30-9:10 AMDetermination of photoelectron angular distributions in the molecularframe by time-resolved photoelectron imaging M. Tsubouchi; A.Iwasaki; Y. Kato; Y. Suzuki; T. Suzuki;


8:50-9:20 AMProbing biological structures with near-field optics R. Dunn; D.Moore; E. Erickson; O. Mooren; N. Dickenson;


8:50-9:20 AM

Advanced research at the Singapore Synchrotron Light Source H. O.Moser; M. Bahou; B. D. Casse; E. P. Chew; M. Cholewa; C. Z. Diao;X. D. Ding; P. D. Gu; S. P. Heussler; L. K. Jian; J. R. Kong; Z. W. Li;H. Miao; M. L. Ng; B. T. Saw; S. b. Mahmood; S. V. Vidyaraj; L.Wen; J. H. Wong; P. Yang; X. J. Yu; X. Y. Gao; A. T. Wee; W. S.Sim;


9:10-9:50 AMThree-body dissociation dynamics of trihydrogen and isotopomers R.Continetti; C. M. Laperle; J. E. Mann; J. D. Savee; M. Fineman;


9:20-10:00 AMForce spectroscopy of monolayers and adsorbed macromolecules G.C. Walker;


9:20-9:50 AM

Present status of Shanghai Synchrotron Radiation Facility andbeamlines related to chemical applications

H. Xu; Z. Zhao; J. He;

9:50-10:20 AM Overview of synchrotron radiation research at NSRRC K. S. Liang;


9:50-10:10 AMDissociative electron attachment studies using velocity map imagingE. Krishnakumar; D. Nandi; V. S. Prabhudesai;


10:00-10:30 AMTime evolution of delocalized excitations in conjugated polymers G.Scholes; T. Dykstra; E. Hennebicq; D. Beljonne;


10:10-10:50 AMTime-resolved photodetachment imaging of negative ions: Electronicstructure evolution along the reaction coordinate A. Sanov; K.Pichugin; R. Mabbs;


10:20-10:50 AMPresent status and future prospects of synchrotron radiation facilitiesin Japan T. Ohta;


10:30-11:00 AMFemtosecond laser-induced melting of anthracene crystal studied byultrafast microscopy T. Asahi; H. Masuhara;


10:50-11:20 AM National synchrotron radiation user facilities P. A. Montano;


Saturday, December 17, 2005

10:50-11:30 AMImaging the polyatomic reaction dynamics of X methane (X: O(3P), F,Cl, and OH) K. Liu;


11:00-11:30 AMExcitation mechanism and ultrafast relaxation dynamics of coherentvibrational modes at the metal surfaces covered with alkali-metalatoms Y. Matsumoto; M. Fuyuki; D. Ino; K. Watanabe; N. Takagi;

12:30 PM-4:30 PM, Lanai (Sheraton Waikiki), Design of Nanomaterials and Nanodevices(#78) [1P]

12:40-1:10 PM Design of nanomaterials and nanodevices F. Stoddart;

1:10-1:40 PMDesign and modeling of nanoscale systems: Predictions of structuresand properties W. A. Goddard;

1:40-2:10 PMArtificial surface-mounted molecular rotors T. F. Magnera; M. E.Mulcahy; D. L. Casher; D. C. Caskey; L. Kobr; X. Zheng; B. Wang;D. Horinek; J. Vacek; J. Michl;

2:10-2:40 PM Ultra-high density molecular and nanoelectronic circuitry J. Heath;

2:40-3:10 PMTheoretical and computational approaches for designingnanosystems M. L. Cohen;

3:10-3:40 PM On-wire lithography (OWL) C. Mirkin;

3:40-4:10 PMDe novo design of functional nanomaterials based on nanorecognitionK. S. Kim;

7:00 PM-9:00 PM, Lanai (Sheraton Waikiki), Design of Nanomaterials and Nanodevices(#78) [2E]

7:00-7:30 PM Quantum transport in molecular electronics H. Guo;

7:30-8:00 PMCorrelated electron transport in oligomer chains G. Fagas; P.Delaney; J. Greer;

8:00-8:30 PMCurrent-induced mechanical effects in molecular junctions M. DiVentra;

8:30-9:00 PMElectron transport in molecules and nanostructures: Effects ofinelastic coupling A. Fisher;

Time Session Info

7:45 AM-11:30 AM, Lanai (Sheraton Waikiki), Design of Nanomaterials and Nanodevices(#78) [3A]

7:45-8:15 AMElectric field induced modulation of photoluminescence quantum yieldof colloidal semiconductor quantum dots P. F. Barbara; S. Park; S.Link; A. Gesquiere;

8:15-8:45 AMMultiscale modeling of nanostructured materials and devices R.Nieminen;

8:45-9:15 AMTheoretical studies of plasmon-based optical sensors G. C. Schatz;S. Zou; G. Chang;

9:15-9:45 AM Nanomechanics applied to biological systems J. Gimzewski;

9:45-10:15 AMProbing electronic transitions in individual carbon nanotubes byRayleigh scattering F. Wang; M. Y. Sfeir; L. Huang; C. Chuang; J.Hone; S. P. O'Brien; L. E. Brus; T. F. Heinz;

10:15-10:45 AMIntegrating biological and nanoscale systems with microelectronics R.J. Hamers;

10:45-11:05 AM

Nanostructured biomaterials: Multifaceted applications of multilayersfrom metal, oxide, SWNT and colloids in neurophysiology and neuronrepair N. A. Kotov; T. Pappas; M. Motamedi; S. Wickramanayake; R.Matts; J. Wikstead; M. Brodwick;

11:05-11:25 AMAssembly of complex nanoparticle structures and microbioassays indielectrophoretically controlled droplet reactors O. D. Velev; S.Chang; K. H. Bhatt; B. G. Prevo;

12:30 PM-4:30 PM, Puna (Sheraton Waikiki), X-ray Spectroscopy at the Sub-Micron Level(#194) [1P]

12:30-1:10 PM

Chemical composition of the graphitic black carbon in riverine andmarine sediments at sub-micron scales using carbon x-rayspectromicroscopy. P. R. Haberstroh; J. A. Brandes; Y. Gelinas; A.F. Dickens; S. Wirick; G. Cody;

1:10-1:50 PMScanning transmission x-ray microscopy of actinide materials D. K.Shuh; H. J. Nilsson; T. Tyliszczak; R. E. Wilson; L. Werme;

1:50-2:30 PMScanning transmission x-ray microscopy: Can we determine themixing states of aerosols containing soot? M. Gilles; A. Tivanski; L.Russell; B. Marten;

2:30-3:10 PMSTXM for STARDUST: Microanalysis of extraterrestrial organicparticles G. D. Cody; C. M. Alexander; T. Araki; D. Kilcoyne;

3:10-3:50 PM Chemistry of microorganism-water interfaces S. Myneni;

Sunday, December 18, 2005

3:50-4:20 PMGrowth, morphology and spectroscopy of n-alkane thin filmsexamined by x-ray microscopy S. Urquhart;

7:00 PM-9:00 PM, Puna (Sheraton Waikiki), X-ray Spectroscopy at the Sub-Micron Level(#194) [2E]

7:00-7:40 PMMicrospectroscopic analysis of well-defined organic thin films R. H.Fink; T. Schmidt;

7:40-8:20 PM Soft X-ray spectromicroscopy of soft materials A. Hitchcock;

Time Session Info

8:30 AM-11:30 AM, Puna (Sheraton Waikiki), X-ray Spectroscopy at the Sub-Micron Level(#194) [3A]

8:30-9:10 AMCompositional and orientational characterization of polymericmaterials with NEXAFS microscopy H. Ade;

9:10-9:50 AM

Sub-micron scale chemical characterization of tribiologicallygenerated films using X-ray spectromicroscopy (X-PEEM) M. Kasrai;M. A. Nicholls; Z. Zhang; G. M. Bancroft; P. R. Norton; E. S.Yamaguchi; G. De Stasio;

9:50-10:30 AMImaging of organic surfaces with PEEM and MEEM: What ishappening at organic/inorganic interfaces? N. Ueno;

10:30-10:50 AM

Hard x-ray photoelectron emission microscopy for buriednanostructure imaging T. Taniuchi; T. Wakita; M. Suzuki; N.Kawamura; M. Takagaki; M. Kotsugi; H. Sato; T. Wakayama; K.Kobayashi; M. Oshima; H. Akinaga; K. Ono;

10:50-11:30 AM Nanostructured materials for device applications S. J. Heun;

12:30 PM-4:30 PM, Lanai (Sheraton Waikiki), Design of Nanomaterials and Nanodevices(#78) [7P]

12:30-1:00 PM Intrinsic electron conduction mechanisms in molecules M. Reed;

1:00-1:30 PMSimple molecules as benchmark systems for molecular electronics D.Djukic; R. H. Smit; C. Untiedt; Y. Noat; K. S. Thygesen; N. D. Lang;M. C. van Hemert; K. W. Jacobsen; J. M. van Ruitenbeek;

1:30-2:00 PMTransport and scanned probe investigations on chemically derivednanostructures H. Park;

2:00-2:30 PM Molecular electronics C. W. Bauschlicher;

Monday, December 19, 2005

You have nothing scheduled for this day

Tuesday, December 20, 2005

You have nothing scheduled for this day

2:30-3:00 PMField regulation of single molecule conductivity by a charged atom R.A. Wolkow;

3:00-3:30 PM Prospects on single molecule electronics Y. Wada;

3:30-4:00 PMMolecular transport structures: Elastic scattering and beyond M.Ratner; A. NItzan; M. Galpern;

Abstract ID: 61

Coincidence imaging study on (e,2e) reaction dynamics of H2 at large momentum transferM. Takahashi; 1; 1. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Miyagi, Japan.

Abstract Body: An electron-impact ionizing collision in which the momenta of the incident and two outgoing electrons

are determined is called an (e,2e) reaction. Such collisions are known to provide a rich variety of information on

collision dynamics and the electronic structure of a target, depending on the kinematics employed. It is now well

documented that the momentum-dependent (e,2e) cross-section is directly related to the one-electron momentum

density of the ionized orbital, if the measurement is made under the high-energy Bethe ridge conditions where the

collision kinematics is described by the electron Compton scattering, analogous to X-ray Compton scattering. Thus

building up a more complete knowledge of (e,2e) reaction dynamics at large momentum transfer is vital not only for its

fundamental importance but also in providing the unwavering basis for obtaining momentum-density information

experimentally. Very recently, we have developed two types of multichannel (e,2e) spectrometers, both of which take

advantage of a latest imaging technique. The first spectrometer measures conventional (e,2e) cross-sections, but it

features remarkably high sensitivity by simultaneous detection in energy and momentum. The second spectrometer

has been developed to examine (e,2e) reactions in the molecular frame, by measuring vector correlations among the

two outgoing electrons and the axial-recoil fragment ion. In this contribution details and performance of the two

spectrometers will be reported. Our recent studies on (e,2e) reaction dynamics of H2 at large momentum transfer will

also be presented, involving the first approach to molecular frame (e,2e) spectroscopy. Emphasis will be placed on the

roles played by the first- and second-order terms of the plane-wave Born series model in ionization-excitation

processes of H2. Our studies will demonstrate that application of the imaging technique has accelerated rapid

advances in (e,2e) spectroscopy.

Abstract ID: 62

Photoelectron imaging of negative ions and helium dropletsD. Neumark; 1; 1. University of California, Berkeley, Berkeley, CA, USA.

Abstract Body: An overview of several photoelectron imaging experiments in our laboratory will be presented,

including time-resolved photoelectron imaging of anion clusters, high resolution slow photoelectron imaging of

negative ions and photoelectron imaging of pure and doped helium droplets.

Abstract ID: 63

Velocity map imaging of attosecond and femtosecond dynamics in atoms and small molecules in strong laser fieldsM. F. Kling; 1; 1. Institute for Atomic and Molecular Physics (AMOLF), FOM, Amsterdam, Netherlands.

Abstract Body: In the past decade, the dynamics of atomic and small molecular systems in strong laser fields has

received enormous attention,1 but was mainly studied with femtosecond laser fields. First applications of attosecond

extreme ultraviolet (XUV) pulse trains (APTs) from high-order harmonic generation (HHG) for the study of atomic and

molecular electron and ion dynamics in strong laser fields utilizing the velocity map imaging technique will be

highlighted. The APTs were generated in argon from harmonics 13 to 35 of a 35 fs Ti:sapphire laser2 and spatially

and temporally overlapped with an intense IR laser field (up to 5x1013 W/cm2) in the interaction region of a velocity

map imaging (VMI) machine. The methodology of our approach will be presented for studies on argon. We recorded

the velocity distribution of electron wave packets that were strongly driven in the IR laser field after their generation in

Ar via single-photon ionization by attosecond XUV pulses. The 3D evolution of the electron wave packets was

observed on an attosecond timescale. In addition to earlier experiments with APTs using a magnetic bottle electron

time-of-flight spectrometer3 and with single attosecond pulses,4 the angular dependence of the electrons kinetic

energies can give further insight into the details of the dynamics. Results that were retrieved for molecular systems, in

particular on H2, N2, O2 and CO2 will be highlighted as well. Detailed insight into the attosecond and femtosecond

dynamics of these systems in strong laser fields was obtained (e.g., on the alignment, above-threshold ionization,

dissociation and coulomb explosion).

[1] Posthumus, J.H., Rep. Prog. Phys. 2004, 67, 623.

[2] López-Martens, R. et al., Phys. Rev. Lett. 2005, 94, 033001.

[3] Johnsson, P. et al., Phys. Rev. Lett. 2005, submitted.

[4] Goulielmakis, E. et al., Science 2004, 305, 1267.

Abstract ID: 64

Momentum imaging with intense laser pulsesC. L. Cocke; 1; 1. Physics, Kansas State University, Manhattan, KS, USA.

Abstract Body: The timing of heavy particle motion in small molecules can be followed in the time domain on a

femtosecond scale by using momentum imaging (COLTRIMS) techniques. Several examples will be discussed. First,

the kinetic energy release of proton pairs from the double ionization of hydrogen by fast laser pulses is timed using the

2.7 fs optical cycle as a clock. The mechanisms of rescattering, sequential and enhanced ionization are clearly

identified in the recoil momentum spectra. Second, pump probe experiments allow us to follow the simultaneous

propagation of coherently launched wave packets in different exit channels for H2 and O2. Third, the operation of

rescattering double ionization in the case of nitrogen and oxygen molecules will be discussed. In this case the use of

rescattering to probe the structure of the outer orbitals in molecules will be demonstrated. Finally, the use of recoil

momentum spectroscopy to reveal the time evolution of sequential double electron removal will be discussed.

Abstract ID: 65

Chemical bond breaking and formation in intense laser fieldsK. Yamanouchi; 1; 1. Department of Chemistry, The University of Tokyo, Tokyo, Japan.

Abstract Body: From the recent pioneering studies of molecules in designed intense laser fields, it has been shown

that molecules respond sensitively to characteristics of the laser pulses such as intensity, temporal pulse width,

wavelength and phase, as well as to the environment around molecular moieties in molecular clusters. In the present

talk, by referring to our recent studies on hydrocarbon molecules in intense laser fields, a variety of phenomena

induced in intense laser fields such as chemical bond breaking and formation and hydrogen atom migration are

introduced and their mechanisms are discussed.

Abstract ID: 134

Photodissociation and ionization of state-selected HBr and HClH. Loock; 1; C. Romanescu; 1; S. Manzhos; 1; D. Grebennikov; 1; 1. Chemistry, Queen's University, Kingston, ON, Canada.

Abstract Body: Photoelectron and photoion imaging is combined to study the ionization and dissociation dynamics of

HCl and HBr. A 2+1 multiphoton excitation scheme allows ionization and/or dissociation from a rotationally selected 2-

photon intermediate state. It will be shown that one can determine the leading electronic configuration of the 2-photon

intermediate state from the product branching ratios. Non-adiabatic processes initiated by excitation of the 2-photon

intermediate state of HBr are interpreted using simple Landau-Zener-type curve crossings. When autoionization via a

superexcited gateway state is the dominant ionization channel, photoionization efficiencies can be used to determine

the potential parameters of the superexcited state. Finally, the spatial anisotropy of the photoion distribution carries a

signature from the symmetry of the 1-photon ("virtual") intermediate state as well as the dissociative superexcited

state(s). A formalism for calculating the angular momentum polarization of an atom or a molecule following two-photon

excitation of a J-selected state is presented. This formalism is used to interpret the H atom photofragment angular

distributions from single-photon dissociation of two-photon rovibronically state selected HCl and HBr prepared via a Q-

branch transition.

Abstract ID: 135

Evidence for photolytic production of cyclic-N3A. M. Wodtke; 1; P. Samartzis; 1; Y. Ji; 1; 1. Department of Chemistry and Biochemistry, University of California, Santa Barbara, Santa Barbara, CA, USA.

Abstract Body: While CH is an ideal building block for organic molecules, isoelectronic N-atoms form only five known

allotropes. One reason for the lack of structural diversity among all-nitrogen species is the difficulty in forming ring

structures. We have carried out several detailed experiments which show the ultraviolet photochemistry of ClN3produces the well-known linear-N3 (azide radical) and a high energy form (HEF-N3) that exhibits many of the

characteristics one would expect from cyclic-N3, the simplest cyclic all-nitrogen molecule. Velocity-map imaging (VMI)

of quantum-state-selected Cl-atoms recoiling from photolyzed ClN3 reveal a medium resolution energy spectrum of N

3, indicating the presence of a low-lying excited state of N3 at 1.35 ± 0.1 eV, which compares well with theoretical

predictions of the energy of cyclic-N3. Synchrotron-based photoionization shows two photoionization thresholds for N3 which agree with theoretical prediction, again suggesting the possibility of two isomers. Photofragmentation-

translational spectroscopy shows that the HEF-N3 can be detected by electron impact ionization 100 μs after its

formation. The status of this project and the outlook for spectroscopic fingerprinting of cyclic N3 will be presented.

Abstract ID: 136

Photodissociation of amino acid chromophores studied by multimass imaging techniqueC. K. Ni; 1, 2; M. Lin; 1; C. Tseng; 1; Y. Lee; 1, 3; 1. Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan. 2. Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan. 3. Department of Chemistry, National Taiwan University, Taipei, Taiwan.

Abstract Body: The aromatic amino acids and the nucleic acid bases are some of the most important molecules in

biochemistry. One important photochemical characteristic of these molecules is the extremely low quantum yield of

fluorescence. These have been explained by the existence of very fast nonradiative processes that efficiently quench

the fluorescence. The nonradiative processes presumably are ultrafast internal conversions back to the electronic

ground state. This so-called photostability is obviously particularly essential to protect these molecules from UV

radiation. Photodissociation of several chromophores of the aromatic amino acid was studied using multimass ion

imaging techniques. The results show that instead of internal conversion, direct dissociation from a repulsive potential

plays a very important role for some of the chromophores. Since the dissociation on the repulsive surface is very fast,

it will not be quenched easily even in the condensed phase by the surrounding solvent molecules. The potential

damage of these molecules through the UV radiation must be considered. Comparison of conventional imaging

technique and multimass imaging technique in polyatomic molecule photodissociation is made.

Abstract ID: 137

Understanding the photochemistry of atmospheric halogen sources, intermediates and reservoirs: Excited state

dynamics and energy partitioningS. W. North; 1; H. Kim; 1; E. E. Greenwald; 1; J. Park; 1; 1. Chemistry, Texas A&M University, College Station, TX, USA.

Abstract Body: The role of anthropogenic and biogenic halogen compounds in stratospheric ozone depletion has been

well established. A detailed understanding of the photodissociation of halogen source and reservoir species is critical

for modeling atmospheric chemistry. We seek to establish quantitative trends in the wavelength dependent

photochemistry of these molecules to aid in assessing their atmospheric significance. Our approach utilizes molecular

beam velocity-map ion imaging of state-selected photofragments. The technique permits correlated scalar

distributions and angular distributions to be measured. The talk will highlight the results on several chemical species

including ClO and ClONO2 that have been investigated at Texas A&M University.

Abstract ID: 138

Imaging studies of weakly bound dimersH. Reisler; 1; 1. Chemistry, University of Southern California, Los Angeles, CA, USA.

Abstract Body: Advances in the technique of charged particle imaging (photofragments and photoelectrons) have

enabled recent progress in understanding complex interactions involving the ground and electronically excited states

of molecules, radicals and transient species. In this talk, studies of photodissociation dynamics of weakly bound

dimers will be described, in which imaging of photoions and photoelectons is used to: (i) characterize the nature of

electronically excited states, (ii) study and model the photofragmentation dynamics at the pair-correlation level, (iii)

elucidate the role of nonadiabatic transitions, in particular interactions between Rydberg and valence states and (iv)

elucidate the nature of the bonding. Specifically, we will describe studies on the NO dimer and dimers of acetylene

with acids and bases. In the case of the NO dimer, combining our studies with electronic structure calculations and

time-resolved measurements reveals an intriguing picture of the dynamics, in which interactions between valence and

Rydberg states and their evolution during the dissociation play a crucial role. Pair-correlated imaging studies of mixed

dimers of acetylene reveal energy flow patterns and how the predissociation dynamics depends on the nature of the

monomer.

Abstract ID: 139

Femtosecond photoelectron imaging of transient photochemical intermediatesF. E. Temps; 1; H. Studzinski; 1; F. Renth; 1; 1. Institute of Physical Chemistry, University of Kiel, Kiel, Germany.

Abstract Body: Femtosecond photoelectron imaging is a powerful technique for the investigation of the dynamics of

ultrafast photophysical and photochemical processes in isolated molecules. Since the electronic structures of the

transient intermediates which are visualized reflect the chemical identities of the molecules, photoelectron imaging

allows us to elucidate the mechanisms of ultrafast photoinduced reactions in new detail. Additionally, we can measure

complementary femtosecond time-of-flight mass spectra and photofragment velocity map images with only minimal

modifications to the experimental setup. High importance is currently attributed to the dynamics of nonradiative

electronic transitions and ultrafast photoisomerization reactions. In our contribution, we report on first results for

cycloheptatriene derivatives and alkylbenzenes. The selected molecules were excited at λ = 258 nm using a 150 fs

frequency-tripled Ti:Sa laser system and probed by multi-photon ionization at λ = 775 and 389 nm. Transient

photoelectron spectra as a function of the pump-probe delay time were obtained by a new Abel inversion scheme

based on iterative regularization methods.

Abstract ID: 1

Seeing is believing S. Iijima; 1; 1. Materials Science & Engineering, Meijo University, Nagoya, Aichi, Japan.

Abstract Body: In the field of nanotechnology research, the first place is to make new materials and the second is to

characterize them for making further progress. They should go side-by-side. As the materials get smaller and smaller

in size, their characterization techniques become more and more sophisticated and expensive. However, we cannot

stop our efforts in developing new techniques since they will bring us new materials in the future. A good example for

my suggestion is the discovery of carbon nanotubes, a popular subject in nano-materials research. I will present

briefly how I found the carbon nanotubes and, then as our latest research activities, I will speak on how to make

nanotubes efficiently and how to understand their true structures under various modification processes. Industrial use

of those materials will also be touched upon.

Abstract ID: 164

Operational status and scientific resources of the Canadian Light SourceW. Thomlinson; 1; 1. Canadian Light Source, Saskatoon, SK, Canada.

Abstract Body: The Canadian Light Source (CLS) is in the early phase of operations. Located on the campus of the

University of Saskatchewan, the CLS is Canada's national synchrotron radiation facility serving the Canadian

academic, industrial and government scientific communities. The facility is a 3rd generation high brightness source

operating at 2.9 GeV. Seven experimental beamlines are in the commissioning phase with full operation of the

scientific programs commencing by the end of 2005. These beamlines are all of importance to chemists and include:

two infrared beamlines for spectroscopy and microscopy, three soft x-ray beamlines for spectroscopy and microscopy

and two hard x-ray lines for protein crystallography and micro-EXAFS. This talk is an overview of the CLS facility, the

present status of the storage ring performance and a summary of the Phase I beamlines. Six additional beamlines

have been funded and these will be summarized as well, with emphasis on those of direct interest to chemists.

Several examples of synchrotron radiation research will be given to highlight the types of programs to be carried out at

the CLS. The CLS will be welcoming the first wave of scientific users this year.

Abstract ID: 210

Femtosecond laser-induced shockwave study on morphological dynamics of single living cellsH. Masuhara; 1, 2; Y. Hosokawa; 1, 2; T. Tada; 1; T. Asahi; 1; 1. Department of Applied Physics and Venture Business Laboratory, Osaka University, Suita, Osaka, Japan. 2. CREST Program, Japan Science Technology Agency, Kawaguchi, Saitama, Japan.

Abstract Body: When a femtosecond laser pulse is focused into solution under a microscope, a shockwave is

generated above a certain threshold, propagating and pushing microbeads and living cells without damage. We are

developing new methodologies to study single living cells by applying the shockwave; manipulation of living cells and

introduction of nanoparticles into them. The force was estimated to be tens nN order which is 10,000 times larger than

the force in conventional laser trapping and conformed enough strengthg to split yeast fungi and to extract sperm

cells. It is necessary and interesting to observe what happens in living cells upon irradiation and to analyze their

dynamics. For this purpose, animal cells of mouse NIH3T3 fibroblasts, whose actin molecules, cytoskeleton proteins,

are visualized with enhanced green fluorescence protein (EGFP), are studied. Deformation and following self-

organization processes of the cells are induced by the shockwave, which were observed under total internal reflection

condition by time-resolved fluorescence imaging. When the femtosecond pulse was focused at a point 15 μm far from

the edge of the cell, fluorescence of EGFP at the edge area disappeared while bright spots came to the image at 1

min delay time. Later at 1 hr, actin filaments recovered shapes similar to the original ones and the bright spots were

not observed anymore. Such local morphological change of cytoskeleton in living cells will be presented and

considered.

Abstract ID: 165

Current status of 3rd generation Pohang Light Source and new construction of 4th generation light source (free

electron laser source) facilityM. Ree; 2, 1; I. Ko; 2, 1; 1. Department of Chemistry, Pohang University of Science & Technology, Pohang, South Korea. 2. Pohang Light Source, Pohang Accelerator Laboratory, Pohang, South Korea.

Abstract Body: The Pohang Light Source (PLS) is a national user facility, which is owned and operated by the Pohang

Accelerator Laboratory (PAL) and Pohang University of Science & Technology (POSTECH) on behalf of the Korean

Government. The PLS has been serving domestic and international users since September 1995. The 2.5 GeV PLS

storage ring has a 12-period triple bend achromat lattice and is designed to be a low emittance third generation

machine. There is a total of 32 beam ports (22 from bending magnets and 10 from insertion devices); the maximum

length available for an insertion device in a straight section is 4.3 meters. The performance of the storage ring has

been continuously improved since the commissioning. According to demands of users to provide more x-rays, the

storage ring has been running at 2.5 GeV, 180-200 mA since early 2000; a thermionic triode electron gun is used as

an electron beam source. There are now 24 beamlines for users and 3 new beamlines are being constructed this

year; we will ultimately have a total of 40 beamlines by 2010. In addition to this 3rd generation PLS facility, a new big

project for a free electron laser (FEL) source (i.e., 4th generation light source) was just started last year, whose

funding was approved in July last year by the President of Republic of Korea; the construction of this FEL facility will

be completed by 2009. This new facility will provide ultraviolet source as well as soft and hard X-ray sources. This

presentation additionally covers the details of the 3rd and new FEL light sources at the PLS and their applications in a

variety of science and technology fields.

Abstract ID: 216

Determination of photoelectron angular distributions in the molecular frame by time-resolved photoelectron imagingT. Suzuki; 0; M. Tsubouchi; 0; A. Iwasaki; 0; Y. Kato; 0; Y. Suzuki; 0; 0. RIKEN, Wako, Japan.

Abstract Body: Photoelectron angular distribution in the molecular frame (MF-PAD) provides the ultimate detail of

photoionization dynamics such as the transition dipole moments and the phase shifts of the photoelectron partial

waves. In the present work, we examine a novel method to extract the MF-PAD from time-dependent photoelectron

angular distributions measured in the laboratory frame (LF-PAD) through the analysis of a rotational wave packet. A

rotational wave packet is formed via a one-photon transition in weak femtosecond laser field or a sequential rotational

Raman scattering in an intense laser field. In the first example, two-photon ionization of NO via the A state is

experimentally investigated. The photoelectron angular anisotropy is accurately determined down to two places after

the decimal and its time-dependence is interpreted in terms of a rotational wave packet and photoionization dynamical

parameters. The second example is one-photon and two-photon ionization of N2 and the effect of molecular alignment

created by an intense laser field is theoretically examined.

Abstract ID: 211

Probing biological structures with near-field opticsR. Dunn; 1; D. Moore; 1; E. Erickson; 1; O. Mooren; 1; N. Dickenson; 1; 1. University of Kansas, Lawrence, KS, USA.

Abstract Body: Near-field scanning optical microscopy (NSOM) is a scanning probe technique that enables optical

measurements to be conducted with nanometric spatial resolution. This technique offers single molecule detection

limits, high spatial resolution and simultaneous force and optical mapping of sample properties. As such, it has found

applications in many areas including the study of thin films, polymers and solid-state materials. Perhaps its greatest

potential, however, lies in the biological sciences, where fluorescence techniques are well developed for tagging

specific proteins or structures or following dynamic processes such as calcium signaling. Our laboratory has been

actively developing NSOM methods that are amenable with soft and fragile samples such as living cells. The

development of these techniques and their biological applications will be discussed.

Abstract ID: 166

Advanced research at the Singapore Synchrotron Light SourceH. O. Moser; 1; M. Bahou; 1; B. D. Casse; 1; E. P. Chew; 1; M. Cholewa; 1; C. Z. Diao; 1; X. D. Ding; 1; P. D. Gu; 1

; S. P. Heussler; 1; L. K. Jian; 1; J. R. Kong; 1; Z. W. Li; 1; H. Miao; 1; M. L. Ng; 1; B. T. Saw; 1; S. b. Mahmood; 1;S. V. Vidyaraj; 1; L. Wen; 1; J. H. Wong; 1; P. Yang; 1; X. J. Yu; 1; X. Y. Gao; 2; A. T. Wee; 2; W. S. Sim; 3; 1. Singapore Synchrotron Light Source, National University of Singapore, Singapore, Singapore. 2. Physics Department, National University of Singapore, Singapore, Singapore. 3. Chemistry Department, National University of Singapore, Singapore, Singapore.

Abstract Body: SSLS pursues research and commercial work in micro/nanofabrication, the analytical characterization

of samples and processes and the development of 4th generation light sources. Its compact 700 MeV electron storage

ring produces synchrotron radiation with a characteristic photon energy of 1.5 keV. The useful spectral range extends

from about 15 keV to the far infrared. Stored beam current exceeds 300 mA with lifetimes ranging from 11 to 17 h.

Five facilities are in operation, including the LiMiNT micro/nanofabrication facility, the PCI phase contrast imaging

beamline, the SINS soft X-ray facility featuring photoemission spectroscopy (PES), X-ray absorption fine structure

spectroscopy (XAFS), magnetic circular dichroism (XMCD) and in situ AFM/STM, the XDD beamline for X-ray

diffraction, absorption and fluorescence spectroscopy and the ISMI infrared spectro/microscopy beamline (15000-10

cm-1) that is equipped with a UHV chamber for catalytic surface processes. Proposed facilities include extreme

ultraviolet lithography (ELFA), low photon energy protein crystallography (LMEPX), X-ray microimaging/microprobe

(TXM2), small angle scattering and the Singapore Infrared Free Electron Laser (SIRFEL) featuring a superconducting

miniundulator. Key achievements include the microfabrication of the first THz electromagnetic metamaterials, the first

in situ study of internal membrane filtration, the non-destructive characterization of ultra low-k dielectric layers, surface

chemical studies of molybdenum sulfide and germanide thin films, the study of structural, magnetic and magneto-

electronic properties of sputtered nickel films on glass substrates and the cryo-commissioning of the first prototype of

the superconducting miniundulator. Work in chemistry will grow due to the recent availability of an ISMI and XDD

upgrade. Latest results will be communicated.

Abstract ID: 217

Three-body dissociation dynamics of trihydrogen and isotopomersR. Continetti; 1; C. M. Laperle; 1; J. E. Mann; 1; J. D. Savee; 1; M. Fineman; 1; 1. Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA, USA.

Abstract Body: In this presentation, the application of multiparticle time- and position-sensitive detection techniques to

examining the three-body dissociation dynamics of the low-lying Rydberg states of H3 and its isotopomers will be

presented. In fast-beam (12 keV) charge-exchange studies with Cs, we have shown that a number of Rydberg states

can be produced, with unique momentum partitioning dynamics for each state and significant isotope effects were also

observed. Progress in studies of the dissociative recombination of free electrons with H3+ will also be reviewed. This

work is supported by the AFOSR under grant FA9550-04-1-0035.

Abstract ID: 212

Force spectroscopy of monolayers and adsorbed macromolecules G. C. Walker; 1; 1. Department of Chemistry, University of Toronto, Toronto, ON, Canada.

Abstract Body: Atomic force microscopy can be used to analyze the rates of macromolecular conformational change

by varying the loading rates of mechanically applied denaturation forces. In a protein example, we analyze how the

local environment of the protein influences its resistance to mechanical unfolding. In a block-copolymer example, we

examine the reaction coordinate properties for breaking the adhesion bond. When we add an applied potential

between the substrate and the tip, an analysis of conductivity through the monolayer junction is enabled. In this case,

the voltage dependent adhesion force, based on the capacitance of the interface, reveals the nature of the charge

carriers in the monolayer and the mechanism of charge transfer through the interface.

Abstract ID: 167

Present status of Shanghai Synchrotron Radiation Facility and beamlines related to chemical applications

H. Xu; 1; Z. Zhao; 1; J. He; 1; 1. Shanghai Institute of Applied Physics, Shanghai, China.

Abstract Body: The ongoing project of Shanghai Synchrotron Radiation Facility will be an advanced third generation

synchrotron radiation light source when completed in 2009. The storage ring of SSRF has been designed to operate

at 3.5GeV with about 4nm rad emittance. It can produce a very high brightness light beam both in X-ray and soft X-ray

region ranging from 0.1keV to 40keV, which will facilitate greatly the researches in chemical sciences as well as many

other fields. Among the first group of SSRF beamlines under design, X-ray absorption spectroscopy, X-ray

microprobe, X-ray diffraction and scattering are closely related to chemical applications. Further extension of SSRF

beamlines would include the beamlines for photoemission spectroscopy, chemical reaction dynamics, ultra-fast

processes, etc.

Abstract ID: 168

Overview of synchrotron radiation research at NSRRCK. S. Liang; 1; 1. National Synchrotron Radiation Research Center, Hsinchu, Taiwan.

Abstract Body: The National Synchrotron Radiation Research Center (NSRRC) operates synchrotron beamlines to

provide IR, VUV, soft and hard x-ray photons for many different experiments. In Hsinchu, a 3rd generation 1.5 GeV

storage ring equipped with several superconducting insertion devices has 23 beamlines in operation. Under Taiwan-

Japan collaboration, NSRRC also operates one bending magnet and one undulator beamline at SPring-8. Using these

photon sources, many advanced experimental stations have been developed, such as molecular beam gas dynamics,

two-color spectroscopy, high-resolution photoemission, MCD, soft x-ray scattering, protein x-ray crystallography, soft

and hard x-ray microscopies and inelastic x-ray scattering (at SPring-8). In this talk, I will discuss the growth of

scientific research and user community in the last ten years based on these advanced stations and give an outlook of

building a new 3 GeV low-emittance ring for emerging needs in materials-, nano- and biosciences.

Abstract ID: 218

Dissociative electron attachment studies using velocity map imagingE. Krishnakumar; 1; D. Nandi; 1; V. S. Prabhudesai; 1; 1. Tata Institute of Fundamental Research, Mumbai, India.

Abstract Body: Velocity map imaging (VMI) has been used extensively to study the dynamics of various collision

processes. We have recently developed an experiment which uses VMI for low energy electron-molecule collisions

leading to dissociative attachment (DA) and dissociative ionization1. The experiment uses a pulsed electron gun and a

pulsed electric field extraction of the ions in conjunction with a two-dimensional position sensitive detector employing

multichannel plates and a wedge and strip anode. The VMI images are obtained using time slicing. This experiment

has provided kinetic energy and angular distribution data for the fragment negative ions arising from DA in the forward

and backward directions for the first time enabling us to extract new information on the symmetries and the

dissociation dynamics of the negative ion resonances. Identification of the 4Σu- in the DA to O2 and dissociation

dynamics of the resonant state in DA to NO have been some of the significant results obtained using this technique.

[1] D. Nandi, V. S. Prabhudesai, E. Krishnakumar and A. Chatterjee, Rev. Sci. Instrum. (in press).

Abstract ID: 213

Time evolution of delocalized excitations in conjugated polymersG. Scholes; 1; T. Dykstra; 1; E. Hennebicq; 2; D. Beljonne; 2; 1. Department of Chemistry, University of Toronto, Toronto, ON, Canada. 2. Chemistry, University of Mons-Hainaut, Mons, Belgium.

Abstract Body: The optical properties of conjugated polymers are inherently complex, owing to the entanglement of

the pi-electron system with the disorder and motions of the atoms in the polymer backbone. Nonetheless, we have

been able to develop a methodology for determining the connections between optical response and structure in such

systems. We report photon echo (3PEPS) studies of poly[2-methoxy,5-(2'-ethyl-hexoxy)-1,4-phenylenevinylene]

(MEH-PPV) solutions in chlorobenzene, toluene and tetrahydrofuran (THF) and a film of MEH-PPV spun cast from

chlorobenzene solution. Analysis of these data allows us to examine the origins of line broadening in these systems,

which are obscured in spectral line shapes. Characteristics of poly para-phenylenevinylene (PPV) and its derivatives

are high photoluminescence quantum yields, non mirror image absorption and fluorescence line shapes and large

apparent Stokes' shifts. We have simulated the 3PEPS data simultaneously with the absorption and fluorescence

spectra to elucidate the timescales characteristic of relaxation processes. Simulations show a rapid localization of

excitation in the initial ~20 fs. The conformation of chains in solution and film dictates the Coulomic interaction

between proximate subunits which, in turn, influences the extent of initial delocalization, chromophore size and energy

transfer. This work provides an important new viewpoint on the role and nature of conformational subunits.

Abstract ID: 219

Time-resolved photodetachment imaging of negative ions: Electronic structure evolution along the reaction coordinateA. Sanov; 1; K. Pichugin; 1; R. Mabbs; 1; 1. Department of Chemistry, University of Arizona, Tucson, AZ, USA.

Abstract Body: Anion photoelectron imaging unravels the reaction dynamics from the electronic perspective in the

solvent and reaction-coordinate domains. Time-resolved photoelectron spectra reflect the reaction energetics, while

the angular distributions shed light on the evolving properties of the parent orbitals. Several conceptual models are

used in the interpretation of the structural and dynamical information derived from the photoelectron images. The

results for the photodissociation of I2Br-, I2- and IBr- reveal the transformation of the excess electron from that

belonging to an excited molecular anion to that occupying an atomic orbital of the I- fragment. The data reflect the

establishment of the fragment electronic identity and provide dynamical tests of the electronic potentials and exit-

channel interactions in the respective dissociation reactions. The I2- and IBr- dynamics are compared to each other,

as well as to the results of trajectory calculations, with the time-resolved spectra modeled assuming a variety of

neutral states accessed in the photodetachment. The results are used to construct an experimental image of the IBr-

dissociation potential as a function of the reaction coordinate. The evolution of the time-resolved photoelectron

angular distributions, examined in comparison for I2- and IBr-, reflects the orbital symmetry effects and quantum

interference in the dissociation of the homonuclear and heteronuclear diatomic anions.

Time-resolved photoelectron spectra in the photodissociation of I2- and IBr-, compared to trajectory simulationsassuming different starting points and a variety of neutral states accessed in the photodetachment.

Abstract ID: 169

Present status and future prospects of synchrotron radiation facilities in JapanT. Ohta; 1; 1. Chemistry, University of Tokyo, Tokyo, Japan.

Abstract Body: In Japan, there are several SR facilities open to general users; PF (E=2.5 GeV, I=400 mA, Circ=187 m,

e=27 nmrad), PF-AR (E=6.5 GeV, I=55 mA, Circ=377 m, e=293 nmrad) in Tsukuba, SPring-8 (E=8 GeV, I=100 mA,

Circ=1400 m, e=6 nmrad) in Nishi-Harima, UVSOR (E=0.75 GeV, I=300 mA, Circ=53 m, 2=27 nmrad) in Okazaki. In

addition, there are rather small rings open to limited users; HiSOR in Hiroshima University, Rits in Ritsmeikan

Univerity, New-Subaru in Nishi-Harima, Saga-ring in Saga pref., which are more oriented for industrial applications.

PF is the first large-scale national project constructed in 1982 and has 68 experimental stations from VUV to hard x-

rays. More than 2000 users make use of this facility. PF-AR is operated in the single bunch mode, which is powerful

for time resolved spectroscopy and diffraction experiments. SPring-8 was constructed in 1997 as one of the third

generation hard x-ray rings in the world and 47 experimental stations, which are mostly for diffraction and imaging

experiments, have been producing a number of scientific outputs. In the talk, several recent upgrades, scientific

highlights of these facilities and future plans such as XFEL will be addressed.

Abstract ID: 214

Femtosecond laser-induced melting of anthracene crystal studied by ultrafast microscopyT. Asahi; 1; H. Masuhara; 1; 1. Departement of Applied Physics, Osaka Ubiversity, Osaka, Japan.

Abstract Body: Femotosecond laser ablation is one promising method for fabricating micro- and nano-structures of

various materials. Laser ablation involves the removal of macroscopic amounts of matter from the surface layer of the

solid material. The densely photoexcited surface layer undergoes melting, fragmentation and vaporizing, following the

relaxation of electronically excited states. To characterize these processes in femtosecond to nanosecond time

domains, time-resolved microphotography and microspectroscopy are useful and indispensable. In this talk, we

present melting and etching dynamics of anthracene crystal after irradiation with an UV femtosecond pulse (390 nm,

170 fs FWHM). At a laser fluence above the threshold, a crater with about a 100 nm depth and a 100 mm diameter

was formed. These dimensions agreed with the penetration depth of the excitations laser and with its beam size,

respectively. Transient absorption measurement under a microscope revealed that the electronically excited state

relaxed to the 'hot' ground state in a few ps at a fluence of about 60 mJ/cm2. This shows that a crystal surface layer

(about 100 nm thickness) is heated up to about 1000 K in the time scale. Melting and related morphology changes

following the rapid photothermal conversion process were examined using time-resolved polarization

microphotography. The optical anisotropy decay demonstrated the transition from ordered orientation of molecules in

crystalline phase to a random one in liquid phase. These results indicate that femtosecond laser ablation of

anthracene crystal can be described in terms of thermal processes and that the strongly overheated surface layer

melts in a 100 ps time scale before material ejection from the surface in a nanosecond time scale.

Abstract ID: 170

National synchrotron radiation user facilitiesP. A. Montano; 1; 1. Office of Basic Energy Sciences, U.S. Department of Energy, Washington, DC, USA.

Abstract Body: The U.S. Department of Energy operates four synchrotron radiation sources and is constructing a

fourth generation X-ray source at SLAC. Synchrotron radiation has revolutionized our understanding of many physical

phenomena. From chemistry to molecular biology, synchrotron radiation has become an essential tool in

understanding chemical and physical phenomena. Angle-resolved photoemission using synchrotron radiation sources

has provided crucial information needed to understand the many body effects in highly correlated electronic systems.

Techniques that utilize the polarization characteristics of the radiation have been used to gain fundamental

understanding of magnetic coupling, orbital and spin contributions and domain structure. The high brightness provided

by third generation synchrotron radiation sources has facilitated the performance of X-ray Raman scattering.

Applications of synchrotron radiation techniques to atomic and molecular physics have opened new venues of

research and provided deeper understanding of atomic and molecular phenomena. X-ray microscopy at third

generation synchrotron source is becoming an extremely important tool in characterizing nanometric structures in

materials. There is now a growing interest in studying physical phenomena in the time domain. Research in the

nanosecond and picosecond regime is already possible at third generation sources. Fourth generation sources like X-

ray free electron lasers will deliver coherent radiation pulses in the femtosecond time domain. These sources will

extend and broaden our technical capabilities to study dynamical phenomena in physics.

Abstract ID: 220

Imaging the polyatomic reaction dynamics of X methane (X: O(3P), F, Cl, and OH)K. Liu; 1; 1. IAMS, Academia Sinica, Taipei, Taiwan.

Abstract Body: Over the past several years our laboratory has undertaken a comprehensive investigation of a series

of chemical reactions of the atom (or radical) methane type. The goal is to uncover those characteristic dynamic traits

which are beyond the well-studied ABC type. In addition to the more familiar state-to-state integral and differential

cross-sections, the state-correlated attributes of the two product pairs are explored and elucidated. In this talk, a brief

overview of those studies will be presented and a few particularly exciting discoveries will be highlighted.

Abstract ID: 215

Excitation mechanism and ultrafast relaxation dynamics of coherent vibrational modes at the metal surfaces covered

with alkali-metal atomsY. Matsumoto; 1, 2; M. Fuyuki; 2; D. Ino; 3; K. Watanabe; 1, 2; N. Takagi; 4; 1. Institute for Molecular Science, Okazaki, Aichi, Japan. 2. Graduate University of Advanced Studies, Hayama, Kanagawa, Japan. 3. RIKEN, Wako, Saitama, Japan. 4. University of Tokyo, Kashiwa, Chiba, Japan.

Abstract Body: A detailed understanding of vibrational wavepacket dynamics is vital to design and perform coherent

control of reactions by tailored laser pulses. We have found that the irradiation of fs laser pulses onto alkali-metal (Na,

K, Cs) covered metal surfaces, Pt(111) and Cu(111), creates coherent surface phonon modes: the alkali-metal

stretching mode with respect to the surface and the surface Rayleigh mode. This paper describes the excitation

mechanism for the coherent phonons and their relaxation dynamics. Pump pulses create the vibrational wavepackets

and their time-evolutions are monitored by the intensity modulation of the second harmonic (SH) signals of probe

pulses at a fixed wavelength. The time-resolved SH traces clearly show oscillatory components whose frequencies

correspond to the surface phonon modes. Since the total SH signals are substantially enhanced compared with those

at a clean surface, some resonant electronic excitation of alkali-metal adsorbates on the metal surfaces must be

responsible for the generation of the coherent phonon modes. In order to understand the excitation mechanism in

detail, we have performed the pump-pulse wavelength dependence and the first-principles quantum mechanics

calculations based on the density functional theory (DFT) plane-wave pseudopotential method. Those results are

presented and the excitation mechanism is discussed.

Abstract ID: 174

Design of nanomaterials and nanodevicesF. Stoddart; 1; 1. Chemistry and Biochemistry, CNSI and University of California, Los Angeles, Los Angeles, CA, USA.

Abstract Body: The field of molecular electronics promises nanoscale miniaturization of electronic devices and

chemical synthetic control over the operation of computer circuitry. Molecular rectifiers are passive examples of this

potential that have withstood scientific scrutiny. By contrast, active molecules -- in the form of bistable catenanes and

rotaxanes -- serve as the switches at the crosspoints of molecular switch tunnel junction (MSTJ) devices for the

fabrication of 64-bit molecular RAM. This talk will highlight the evolution of synthetic control based on molecular

recognition that is expressed in bistable switches that have been customized and optimized for incorporation into

silicon circuitry. The pathway to the first crossbar-based MSTJ devices based on close-packed monolayers of bistable

switches will be outlined together with a description of the molecules structures in devices and an ab initio explanation

of the switching properties. Finally, progress towards 10 nm nanowire crossbar arrays at densities of 1011 devices/cm2 will be outlined. This integrated systems-oriented approach offers a blueprint that provides a potential pathway to

follow for the utilization of the next generation of hybrid nanomaterials and nanodevices.

Abstract ID: 175

Design and modeling of nanoscale systems: Predictions of structures and propertiesW. A. Goddard; 1; 1. Chemistry, California Institute of Technology (Caltech), Pasadena, CA, USA.

Abstract Body: Advances in theoretical and computational chemistry are making it practical to consider fully first

principles (de novo) predictions of the structures, properties and processes in nanoscale systems. These approaches

are starting to form the foundation for designing systems suitable for assembly of useful nanoscale machines. We will

discuss recent advances in methodology with applications to such topics as:

1) Predictions of three color nanoelectronic switches based on first principles predictions

2) Switching properties of self-assembled monolayers of rotaxanes and catenanes on electrode surfaces

3) DNA-based switches and motors; comparison of structures and properties from theory with experiment

4) Application of the ReaxFF reactive force field and QM methods to determine the role of various metals in the

nucleation and growth processes involved in gas phase synthesis of nanotubes

5) Use of nanotubes as interconnects

6) Nanotube supports for fuel cell catalysts

Abstract ID: 177

Artificial surface-mounted molecular rotorsJ. Michl; 1; T. F. Magnera; 1; M. E. Mulcahy; 1; D. L. Casher; 1; D. C. Caskey; 1; L. Kobr; 1; X. Zheng; 1; B.Wang; 1; D. Horinek; 1; J. Vacek; 1; 1. Chemistry & Biochemistry, University of Colorado, Boulder, CO, USA.

Abstract Body: We describe progress in the synthesis, mounting, characterization and performance of altitudinal (axle

parallel to surface) and azimuthal (axle perpendicular to surface) surface-mounted dipolar molecular rotors as well as

molecular dynamics simulations of their response to driving fields, both electric and flow.

Abstract ID: 178

Ultra-high density molecular and nanoelectronic circuitryJ. Heath; 1; 1. Chemistry, Caltech, Pasadena, CA, USA.

Abstract Body: I will discuss issues related to the nanofabrication, assembly and testing of ultra-high density

nanoelectronic circuitry for a range of applications, including novel thermoelectrics, biomolecular sensing and

molecular electronics logic and memory circuitry. Multiplexing concepts for bridging length scales from the sub-micron

dimensions of lithography to the molecular-scale dimensions of nanowires and molecular devices will be discussed, as

will be electrochemical methods for encoding different components of a nanoelectronic circuit with different molecules.

Abstract ID: 179

Theoretical and computational approaches for designing nanosystemsM. L. Cohen; 1, 2; 1. Physics Department, University of California, Berkeley, CA, USA. 2. Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.

Abstract Body: I will discuss the general background and current status of first-principles methods related to

explaining, designing and predicting properties of materials. Many of the techniques in this area carry over to

applications in nanoscience. In particular for structural studies, it is possible to predict new nanostructures as was

shown for BN nanotubes and geometric arrangements of carbon nanotubes to produce devices. For electronic

properties recent studies of the giant Stark effect in BN nanotubes, superconductivity, optical properties and transport

properties have demonstrated the robustness of the theoretical methods. The use of theory for studying mechanical

properties and electromigration which are related to nanomotors will also be discussed.

Abstract ID: 180

On-wire lithography (OWL) C. Mirkin; 1; 1. Chemistry, Northwestern University, Evanston, IL, USA.

Abstract Body: A new, general and high throughput procedure, for lithographically processing one-dimensional

nanowires in such a way that one can control gap size down to the 5 nm length scale. This procedure, termed on-wire

lithography (OWL), combines advances in template directed synthesis of nanowires with electrochemical deposition

and wet-chemical etching and allows one to routinely fabricate architectures that would be difficult to make via any

known lithographic methodology. Face-to-face disk arrays and gap structures in the 5 nm to several hundred

nanometer range have been fabricated by OWL. As proof-of-concept, 13 nm gaps have been studied with respect to

their transport properties with and without nanoscopic amounts of conducting polymers deposited within by dip pen

nanolithography.

Abstract ID: 181

De novo design of functional nanomaterials based on nanorecognitionK. S. Kim; 1; 1. Center for Superfunctional Materials, Pohang University of Science and Technology, Pohang, South Korea.

Abstract Body: Quantum chemistry has now evolved to the stage of designing new materials. It is thus exciting to

design novel functional nanomaterials and nanosystems based on de novo quantum mechanical calculations, based

on nano-recognition, molecular interactions, molecular clustering and self-assembly including self-synthesis.

Theoretical investigations of the properties of various molecular systems, ranging from simple clusters to large

complex systems, help understand the origin of the molecular interactions and nano-recognition. Based on the

insights obtained from these predicted properties, we study the properties of a diverse range of novel nanosystems

(nanoclusters, nanowires, carbon/organic/inorganic nanotubes, metal-organic junctions, electric currents and

nanodevices). I discuss the change of properties of various materials in going from three dimension to two to one to

zero dimension.

Abstract ID: 227

Quantum transport in molecular electronicsH. Guo; 1; 1. Physics, McGill University, Montreal, QC, QC, Canada.

Abstract Body: Carrying out density functional theory (DFT) analysis within the Keldysh nonequilibrium Green's

function (NEGF) formalism, we have calculated nonlinear and nonequilibrium charge transport properties of various

molecular scale conductors without involving phenomenological parameters. In this talk, I will report our recent

investigations using the NEGF-DFT formalism on resistance of several molecular wires and compare our results with

the corresponding experimental data. I will also report our results on calculating electron-phonon coupling strength

and molecular vibrational spectra of the devices under external bias voltage and during current flow.

Abstract ID: 228

Correlated electron transport in oligomer chainsJ. Greer; 1; G. Fagas; 1; P. Delaney; 1; 1. Tyndall National Institute, Cork, Ireland.

Abstract Body: Electron transport across alkane, silane and germane chains is studied using an approach to electron

transport based upon a configuration interaction representation of the density matrix. Irreversible open-system

boundary conditions are applied to the one-body Wigner function, with the link to the many-body problem made via the

one-body reduced density matrix. Using this approach, the boundary conditions are applied to the many-body electron

problem in the manner advocated by Frensley [Review of Modern Physics, 62, 745-791 (1990)] for single electron

problems. Within the configuration interaction approach, polarization of a system is achieved by mixing of different

electronic configurations. Polarization coupled with the open system boundary conditions governs electron transport.

For non-resonant transport, a weak mixing of excited states with the ground state is seen. For resonant transport,

curve crossing induced by the electric field associated with the terminal voltage gives rise to a strong mixing between

the ground state and excited states of the contact-molecule-contact complex. This distinction between resonant and

non-resonant transport is explored. The mixing of configurations needed to polarize the system and linked to the

current carrying states is examined for different chain lengths and for oligomers with differing HOMO-LUMO

separation. Decay lengths from correlated calculations are compared to experiment where available, as well, with

other theoretical methods.

Abstract ID: 229

Current-induced mechanical effects in molecular junctionsM. Di Ventra; 1; 1. University of California, San Diego, La Jolla, CA, USA.

Abstract Body: Transport of electrical charge across a nanoscale junction is accompanied by many effects like transfer

of energy between electrons and ions1 and consequent heating of the junction2 and forces on ions due to current-

induced variations of the electronic distribution3. I will discuss these effects in atomic and molecular wires and focus

on their description at the atomic level. In particular, I will discuss their relative role in the stability of nanojunctions and

compare these findings with experimental results. Work supported by NSF.

[1] Y-C. Chen, M. Zwolak and M. Di Ventra, "Inelastic current-voltage characteristics of atomic and molecular

junctions", Nano Lett. 4, 1709 (2004).

[2] Y-C. Chen, M. Zwolak and M. Di Ventra, "Local heating in nanoscale conductors", Nano Lett. 3, 1691 (2003).

[3] Z. Yang, M. Chshiev, M. Zwolak, Y.-C. Chen and M. Di Ventra "Role of heating and current-induced forces in the

stability of atomic wires", Phys. Rev. B 71, 041402 (2005).

Abstract ID: 230

Electron transport in molecules and nanostructures: Effects of inelastic couplingA. Fisher; 1; 1. Department of Physics and Astronomy, University College London, London, United Kingdom.

Abstract Body: This talk will explain why inelastic coupling to vibrational excitations dominates electron transport in

many molecules and other nanostructures. Having established the importance of the effect to the absolute magnitude

of molecular conductance, to local heating rates and to current-indiced failure of nanodevices, the talk will go on to

compare three ways of treating it: (i) the well-established Keldysh non-equilibrium Green function technique, (ii) the

direct solution of the coupled electron-lattice Schroedinger equation and (iii) the new technique of coupled electron-ion

dynamics (CEID), which involves a moment expansion in the correlations between atoms and electrons. It will be

shown that direct solution (ii) for a single electron is a special case of the Keldysh approach (i) in certain limits and the

circumstances in which the more computationally tractable CEID approach (iii) is suitable will be explained.

Examples involving inelastic transport and spectroscopy, local heating and electron transfer will be discussed.

Abstract ID: 314

Electric field induced modulation of photoluminescence quantum yield of colloidal semiconductor quantum dotsP. F. Barbara; 1; S. Park; 1; S. Link; 1; A. Gesquiere; 1; 1. Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, TX, USA.

Abstract Body: The photoluminescence intensity fluctuations of single CdSe nanocrystals have been studied by

electric field modulation experiments. Individual quantum dots show a significant PL modulation by an externally

applied electric field. This behavior is attributed to the nonradiative rate change by tuning the relative energy levels of

the exciton state and charge transfer states associated with surface trap sites. The field induced intensity modulation

characteristics (i.e., the modulation direction and depth) vary over time in a discrete fashion, indicating that the

electrostatic environment of quantum dot changes over time. These results suggest the importance of surface states

and surface charges in the photophysics of quantum dots. A quantitative model for the observation will be discussed

in the presentation.

Abstract ID: 315

Multiscale modeling of nanostructured materials and devicesR. Nieminen; 1; 1. COMP/Laboratory of Physics, Helsinki University of Technology, Espoo, Finland.

Abstract Body: Predictive computational modeling is an indispensable tool for nanoscience. I discuss a few examples

of recent research carried out in the Center for Computational Nanoscience (COMP) at HUT. These include (i)

calculations of electronic and magnetic properties of defected and nanostructured carbon systems, (ii) kinetic Monte

Carlo studies of anisotropic etching of silicon and (iii) non-equilibrium electron transport through nanowires and point

contacts. All these use atomic-scale density-functional theory (DFT) as the starting point and build the longer length-

and time-scale properties using the DFT energies and wavefunctions as input. Spin-polarized DFT calculations show

that dangling bonds associated with defects in carbon systems give rise to localized moments which can lead to

ferromagnetic order. The nature and mutual coupling of these moments is discussed in detail. The activation energies

of surface reactions associated with silicon surfaces exposed to potassium hydroxyl etchant can be calculated using

DFT. These depend sensitively on the local atomic arrangement at the reaction site. The energies can be used as

input in kinetic Monte Carlo and cellular-automaton simulations of the evolution of the nanoscale surface morphology

during etching.

DFT wavefunctions can be used as input in Green's function calculations of transport through nanoscale devices. An

interesting example is the leakage current through a thin hafnium oxide layer deposited on silicon, as an alternative for

the common gate oxide material (silicon dioxide).

Abstract ID: 316

Theoretical studies of plasmon-based optical sensorsG. C. Schatz; 1; S. Zou; 1; G. Chang; 1; 1. Chemistry, Northwestern University, Evanston, IL, USA.

Abstract Body: This talk will overview our recent electrodynamics and electronic structure work concerning the optical

properties of noble metal nanostructures, with emphasis on extinction, Rayleigh and Raman spectroscopy applications

that are important in plasmonic biomolecule sensors. Included in this work are studies of particles and nanohole array

structures that combine photonic and plasmonic resonances to produce narrow absorption and scattering features.

We also describe new work concerning dye molecules adsorbed on metal particles.

Abstract ID: 317

Nanomechanics applied to biological systemsJ. Gimzewski; 1; 1. Chemistry & Biochemistry, University of California, Los Angeles, Los Angeles, CA, USA.

Abstract Body: Recent work exploring nanomechanical characterization of cell bacteria and proteins, using nanoscale

techniques derived from our ability to measure and apply forces and displacements in the piconewton and picometer

range will be discussed. The combination with genetic engineering and the action of drugs has been a focus in our

work. In particular the determination of nanomechanical oscillations in yeast cells and the social motility of slime mold

are used as examples of where we can expect to go in real time diagnosis, genetic screening and other aspects of

nanomedicine. Projections are provided based on the advancement rate of nanomechanical probes, the fabricability

and applications.

Abstract ID: 318

Probing electronic transitions in individual carbon nanotubes by Rayleigh scatteringT. F. Heinz; 1; F. Wang; 1; M. Y. Sfeir; 1; L. Huang; 1; C. Chuang; 1; J. Hone; 1; S. P. O'Brien; 1; L. E. Brus; 1; 1. Nanoscale Science and Engineering Center, Columbia University, New York, NY, USA.

Abstract Body: Optical spectroscopy of individual nanostructures has greatly enhanced our understanding of

nanoscale physics and chemistry. For single-wall carbon nanotubes (SWNTs), there is a particularly strong motivation

for such techniques, since the properties of SWNTs vary enormously with their precise physical structure. Here we

describe a new spectroscopic approach for investigating individual SWNTs1 that complements the methods of

fluorescence and resonant Raman spectroscopy. The method is based on Rayleigh (or elastic) light scattering. As

such, it relies on the ubiquitous linear polarizability of the material, a response present for fluorescing and non-

fluorescing species alike and displaying resonances at the transition energies of the system. The method, with

appropriate instrumentation, can produce high-quality spectra of an individual SWNT over the visible and near-IR

range with short data collection times. Rayleigh scattering spectra of electronic transitions in semiconducting and

metallic nanotubes will be presented, as will be results on the polarization dependence of the transitions. The method

will be shown to be appropriate for the characterization of different spatial segments of a given SWNT and for the

examination of tube-tube interactions in small bundles of SWNTs. Progress in correlating the optical spectroscopy of

a given nanotube with direct structural characterization and transport measurements on the same nanotube will also

be reported.

This work is supported by the NSF NSEC at Columbia University, NYSTAR, and the DOE-BES.

[1] M.Y. Sfeir, F. Wang, L. M. Huang, C.C. Chuang, J. Hone, S. P. O'Brien, T. F. Heinz and L. E. Brus, Science 306,

1540 (2004).

Abstract ID: 319

Integrating biological and nanoscale systems with microelectronicsR. J. Hamers; 1; 1. Department of Chemistry, University of Wisconsin-Madison, Madison, WI, USA.

Abstract Body: The integration of biology with microelectronics is a fruitful area of research in part because both fields

are increasing making use of nanotechnology. We have been investigating the interaction of biological molecules with

nanoscale systems for applications including biological sensing and nanoscale assembly. In one set of studies, we are

investigating the combined use of dielectrophoretic manipulation together with nanoscale assembly to manipulate

biologically-modified nanowires across microelectrode gaps and investigating the changes in electrical properties that

result. We demonstrate the formation of a nanoscale "bio-electronic switch" in which nanowires bridge between

electrodes, held in place by biomolecular interactions. Bacterial cells can be thought of as "nature's nanowires", since

many of them form cylindrical structures similar in size and shape to the inorganic nanowires more commonly studied.

We are manipulating individual bacterial cells across microelectrode junctions and investigating the resulting electrical

response. Our results demonstrate that bacterial cells can be captured, manipulated, interrogated, and then released.

More broadly, bacterial cells can be building blocks for the construction of more complex nanoscale assemblies.

Both these examples center on the use of biomolecular recognition combined with nanoscale assembly to fabricate

novel types of nano-bio-electronic systems.

Abstract ID: 320

Nanostructured biomaterials: Multifaceted applications of multilayers from metal, oxide, SWNT and colloids in

neurophysiology and neuron repairN. A. Kotov; 1; T. Pappas; 3; M. Motamedi; 3; S. Wickramanayake; 2; R. Matts; 5; J. Wikstead; 4; M. Brodwick; 3

; 1. Chemical Engineering, Department of Biomedical Engineering and Materials Science, University of Michigan, AnnArbor, MI, USA. 2. Chemical Engineering, University of Michigan, Ann Arbor, MI, USA. 3. Center for Biomedical Engineering, University of Texas Medical Branch, Galveston, TX, USA. 4. Physics, Oklahoma State University, Stillwater, OK, USA. 5. Biochemistry , Oklahoma State University, Stillwater, OK, USA.

Abstract Body: The presentation will review the recent advances in the use of nanocolloids to add new functionalities

to biomaterials. Layer-by-layer assembly (LBL) affords preparation of ordered layered structures from virtually

unlimited palette of nanocolloids. Various functionalities of nanoparticles (NPs) afford preparation of targeted

composites for different neuronal functions. Four examples will be discussed. Multilayers from TiO2 nanoshells afford

selective determination of neurotransmitters due to ion-sieving effect. Strong, flexible and electroconductive implants

can be made from SWNT colloids. Stringent testing of biocompatibility of these materials demonstrated that they are

suitable for long-term contacts with tissues. Stimulations of neurons through SWNT films was achieved. Ag NPs can

suppress inflammation processes. Photoactive multilayer from s/c NPs were used to stimulate NG108-15 neuron

precursor cells. It was found that light adsorbed in the NP layers results in the electrical excitation of the neurons

making this system a functional analog of retina. Layered nanocomposites represent an exceptionally versatile tool for

production of biomaterials with novel applications derived from unique properties of nanostructured matter.

SEM image of a neuron cell adhering to a free-standing film made from SWNT multiulayers.

Abstract ID: 321

Assembly of complex nanoparticle structures and microbioassays in dielectrophoretically controlled droplet reactorsO. D. Velev; 1; S. Chang; 1; K. H. Bhatt; 1; B. G. Prevo; 1; 1. Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC, USA.

Abstract Body: Dielectrophoresis, particle mobility in alternating electric fields, allows manipulation and precise control

of the interactions and assembly of micro- and nanoparticles. On-chip dielectrophoresis could also be used as a

means to transport and manipulate droplets in novel droplet-based microfluidics chips. The droplets of water or

hydrocarbon were suspended on the surface of a denser liquid and driven by electric fields created by addressable

arrays of electrodes immersed in the oil. The levitated droplets could serve as self-contained templates and reactors

for the assembly of particles with advanced structure by controlled on-chip mixing, drying and polymerization. Each

droplet serves as a microscopic reactor, where the particles are formed by drying or polymerization. When the

droplets contain nanoparticles the evaporation of the liquid leads to microseparation of the components and leads to

the formation of layered colloidal crystal structures. Controlled on-chip fabrication inside droplets allows making

anisotropic "eyeball" and striped supraparticles, polymer capsules and semiconducting microbeads. The droplets

could also serve as sites for microscopic bioassays. The new droplet-based chips allow automated fabrication,

combinatorial synthesis and massive parallelization.

Abstract ID: 628

Chemical composition of the graphitic black carbon in riverine and marine sediments at sub-micron scales using

carbon x-ray spectromicroscopy.P. R. Haberstroh; 1; J. A. Brandes; 1; Y. Gelinas; 2; A. F. Dickens; 3; S. Wirick; 4; G. Cody; 5; 1. Marine Science Institute, University of Texas-Austin, Port Aransas, TX, USA. 2. Chemistry and Biochemistry Department, Concordia University, Montreal, QC, Canada. 3. Marine Chemistry and Geochemistry Department, Woods Hole Oceanographic Institution, Woods Hole, MA, USA. 4. Department of Physics, SUNY-Stony Brook, Stony Brook, NY, USA. 5. Geophysical Laboratories, Carnegie Institution of Washington, Washington, DC, USA.

Abstract Body: The molecular composition of the graphitic black carbon (GBC) portion of the molecularly-

uncharacterizable black carbon (BC) pool of marine organic matter was examined in a variety of marine and

freshwater sedimentary environments, using carbon x-ray absorption near edge structure (C-XANES) spectroscopy

and scanning transmission x-ray microscopy. GBC is an extremely chemically- and thermally-recalcitrant portion of the

BC pool and may arise either from biomass- or fossil fuel-combustion, but may also result from the release and

transport of uplifted sedimentary kerogen during weathering. C-XANES spectra show the GBC of surface sediments

from a mountainous river to be dominated by more highly-ordered and impure forms of graphite. However, the GBC in

the surface sediments of various coastal margins of North America was dominated by amorphous carbon. Much older,

pre-anthropogenic sediments from the open equatorial Pacific Ocean had a much wider spectrum of GBC classes:

highly aliphatic C, low aromatic C, highly acidic aliphatic C, low aromatic, highly aliphatic C amorphous graphitic C,

impure graphite C, and even highly-ordered graphitic C. These analyses suggest that amorphization of highly-ordered

graphite as it is transported to nearshore environments is a dynamic process, as is aeolian transport of partially

graphitic dust particles to the open ocean.

GBCClasses

Stillaguamish River,0-5 cm.(%)

Eel RiverMargin,0-5 cm.(%)

WashingtonCoast Slope, 0-5 cm.(%)

MexicoMargin,0-5 cm.(%)

EquatorialPacific 9oN,8-12 cm.(%)

HighlyAliphatic C

16.8 0 0 0 17.0

LowAromatic,HighlyAcidic,Aliphatic C

1.1 0 0.3 2.7 7.7

LowAromatic,HighlyAliphatic C

2.3 0 0 0 11.8

Amorphous 0 71.5 99.7 97.3 7.8

C

ImpureGraphitic C

34.8 26.9 0 0 35.1

Highly-OrderedGraphite

44.9 1.6 0 0 20.6

Abstract ID: 629

Scanning transmission x-ray microscopy of actinide materialsD. K. Shuh; 1; H. J. Nilsson; 1, 2; T. Tyliszczak; 1; R. E. Wilson; 1, 3; L. Werme; 2, 4; 1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. 2. SKB, Stockholm, Sweden. 3. Nuclear Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. 4. Department of Physics, Uppsala University, Uppsala, Sweden.

Abstract Body: The scanning transmission x-ray microscope (STXM) at the Advanced Light Source Molecular

Environmental Science (ALS-MES) Beamline 11.0.2 has been utilized to investigate actinide materials. The ALS-MES

STXM permits high-resolution near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and imaging of

actinide particles with 30 nm resolution. The results from the initial studies of the uranium, neptunium and plutonium

oxides will be presented, demonstrating the capabilities and limitations of soft x-ray STXM spectromicroscopy for the

investigations of actinide systems. The actinide 4d edges are employed for both imaging and for oxidation state

determination. Of particular importance is the capability to directly probe the edges of light elements by NEXAFS, such

as the oxygen K-edge, that are integral constitutents of many fundamental actinide materials. The results from the

initial investigations of several different types of actinide particles will also be shown. Actinide sample preparation

methods, as well as sample radiation damage considerations, will be described. The potential of STXM

spectromicroscopy for future actinide investgations will be discussed.

Abstract ID: 630

Scanning transmission x-ray microscopy: Can we determine the mixing states of aerosols containing soot?M. Gilles; 1; A. Tivanski; 1; L. Russell; 2; B. Marten; 3, 1; 1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. 2. Scripps Institution of Oceanography, University of California, San Diego, CA, USA. 3. Lowell High School, San Francisco, CA, USA.

Abstract Body: Atmospheric aerosols influence the atmospheric radiative budget by directly scattering and absorbing

solar radiation or by forming cloud condensation nuclei. The radiative forcing may vary by a factor of three depending

upon whether strongly absorbing components such as black carbon are well mixed within individual particles or are

present as distinct, individual particles. Spectromicroscopic near edge x-ray absorption fine structure (NEXAFS)

studies using scanning transmission x-ray microscopy (STXM) of individual particles permits probing of multiple

species within or on a particle. The sensitivity of electronic transitions to the local coordination environment is used to

identify organic functional groups. In atmospheric aerosols, the intensity of the 285 eV peak is strongly dependent

upon particle size for particles known to contain soot. Aerosols from a variety of sources (biomass burns, aircraft

samples) and geographical locations (Urban U.S., Asia, Africa), along with soot surrogates such as n-hexane soot,

resistively heated graphite and Monarch Black carbons are examined to determine the potential of this method for

distinguishing mixing states in atmospheric particles.

Abstract ID: 631

STXM for STARDUST: Microanalysis of extraterrestrial organic particlesG. D. Cody; 1; C. M. Alexander; 1; T. Araki; 2; D. Kilcoyne; 2; 1. Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC, USA. 2. Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA, USA.

Abstract Body: The organic matter in meteorites, interplanetary dust particles and in recovered cometary particles has

the potential to reveal much about the chemical history of the early solar system. We are applying scanning

transmission x-ray (spectro) microscopy (STXM) in the energy range spanning 200 to 800 eV in order to provide

quantitative chemical analysis of extraterrestrial organic matter. The application of STXM to analysis of meteoritic

organic matter is motivated by a number of factors. In particular the anticipated return of the STARDUST mission

carrying captured cometary particles embedded in Aerogel. The best bet for obtaining quantitative information on the

organic matter in these small 1 to 10 micron particles will be C-, N- and O-XANES implemented with a scanning

transmission soft X-ray microscope/microspectrometer. We apply 13C solid state NMR analysis and use these data to

aid deconvolution and calibration of the near-edge XANES features. We are using elemental analysis of bulk

meteorite organics to calibrate broad-band 250 to 800 eV spectra for the application of C-, N- and O-XANES as a

means of obtaining elemental analysis. We observe a spectacular range in chemistry exhibited in these extraterrestrial

materials from which we are beginning to unravel early solar system chemical history.

Abstract ID: 632

Chemistry of microorganism-water interfacesS. Myneni; 1; 1. Geosciences, Princeton University, Princeton, NJ, USA.

Abstract Body: Microorganisms play an important role in several environmental processes and their interfaces with

water and mineral and organic substrates control their activity and transport in the natural systems. However, the

surface chemistry of microorganisms is poorly understood and most of what is currently known is derived from

extraction and isolation methods. We used transmission X-ray microscopy to explore the functional group chemistry of

several different Gram-positive and Gram-negative bacteria species in a variety of solution chemical conditions at a

spatial resolution better than 40 nm. These in situ studies showed surprises regarding the structure of the interfaces.

My presentation will introduce the applications of this technique in studying these interfaces and will present new

results on the microorganism-water interfaces.

Abstract ID: 633

Growth, morphology and spectroscopy of n-alkane thin films examined by x-ray microscopyS. Urquhart; 1; 1. Department of Chemistry, University of Saskatchewan, Saskatoon, SK, Canada.

Abstract Body: We have used scanning transmission x-ray microscopy (STXM) to study the x-ray absorption

spectroscopy, morphology, growth and dynamics of thin films of n-alkane molecules prepared by deposition onto

crystalline substrates. The linear dichroism in the near edge x-ray absorption fine structure (NEXAFS) spectra creates

an orientation dependent image contrast mechanism for x-ray microscopy. However, for alkane molecules, this

orientation dependence is clouded by uncertainty regarding the assignment of spectroscopic features. We have used

STXM microscopy to characterize the absolute angle dependence of the NEXAFS spectra of laterally oriented C60H

122 (hexacontane) thin films. Our results are at odds with the commonly used valence bond and molecular orbital

models of orientation dependence. Thin films of n-alkanes of varying chain length have been prepared by deposition

on crystalline substrates such as NaCl(001). STXM microscopy reveals how the morphology and orientation of these

thin films varies with the chain length and the deposition conditions. Widely different morphologies are observed and

the mechanisms of growth are rationalized with the aid of x-ray microscopy data. I will discuss the dynamic behavior of

these n-alkane thin films, explored in situ with a heating cell in the STXM microscope, as well as the prospects for

patterned control of molecular orientation at the nanoscale.

Abstract ID: 713

Microspectroscopic analysis of well-defined organic thin filmsR. H. Fink; 1; T. Schmidt; 2; 1. Physical Chemistry 2, University of Erlangen, Erlangen, Germany. 2. Experimentelle Physik 2, University of Wuerzburg, Wuerzburg, Germany.

Abstract Body: High-resolution near-edge x-ray absorption fine structure (NEXAFS) spectroscopy is ideally suited to

investigate the electronic properties of organic molecules. The development of new instrumentation at 3rd generation

synchrotron light sources offers both, superior spectral quality in the soft x-ray regime as well as high lateral resolution

for spectromicroscopy experiments. Both are without doubt required for detailed insight into the properties of ultrathin

organic films (from the submonolayer regime to several 100 monolayers). In situ experiments with the presently

installed SMART spectromicroscope at BESSY-II will be presented to discuss the influence of the adsorption kinetics

on the growth of organic films and their effect on the film morphology. The electric moments (dipole or quadrupole

moments) of the molecules may induce metastable (structural, orientational) phases, which can easily be followed

during the in situ observation in PEEM. The influence of steps is evident from the spatially resolved in situ observation

of the film growth. Whereas XPEEM easily allows in situ detection of organic film growth, scanning transmission x-ray

microspectroscopy (STXM) is limited to ex situ prepared films due to spatial and vacuum restrictions. Deposition from

wet cells has not yet been performed. STXM experiments concentrated on the morphology, crystallization and

spectroscopic properties in ex situ prepared organic films. The molecular substances were ranging from

heteroaromates to magnetic supramolecules. The latter consist of a well-defined number of paramagnetic ions which

are stabilized by an organic ligand shell. Spatially resolved NEXAFS experiments focused on the oriented growth of

these molecules and on their electronic properties. The metal L-edges of the respective transition metals were found

to be extremely sensitive to radiation damage. The damage leads to a reduction of the metal ions most likely from

electrons excited in the ligand shell.

Abstract ID: 714

Soft X-ray spectromicroscopy of soft materialsA. Hitchcock; 1; 1. BIMR, McMaster University, Hamilton, ON, Canada.

Abstract Body: Soft X-ray spectromicroscopy using scanning transmission X-ray microscopes (STXM) at the

Advanced Light Source (ALS) is being applied to quantitative chemical mapping of natural and synthetic polymers at

high spatial resolution (<50 nm). Methods for acquiring and analyzing STXM data will be described and illustrated with

results selected from recent studies of electrochromism in polyaniline under in situ potential control1, metal and

antimicrobial mapping in wet biofilms2,3, protein interactions with patterned polymer surfaces4 and polymer

microstructure optimization5.

Research supported by NSERC, Canada Research Chair and AFMnet. Measurements at 5.3.2 and 11.0.2 STXMs at

the ALS, funded by DoE under contract DE-AC03-76SF00098

[1] D. Guay, J. Stewart-Ornstein, X. Zhang and A.P. Hitchcock, Analytical Chemistry (2005) in press.

[2] J.J. Dynes, T. Tyliszczak, T. Araki, J.R. Lawrence, G.D.W. Swerhone, G.G. Leppard and A.P. Hitchcock,

Environmental Science and Technology (2005) submitted.

[3] J.R. Lawrence, G.D.W. Swerhone, G.G. Leppard, T. Araki, X. Zhang, M.M. West and A.P. Hitchcock, Applied

Environmental Microbiology 69 (2003) 5543.

[4] A.P. Hitchcock, C. Morin, Y.M. Heng, R.M. Cornelius and J.L. Brash, J. Biomaterials Science, Polymer Ed. 13

(2002) 919.

[5] R. Takekoh, M. Okubo, T. Araki, H.D.H. Stover and A.P. Hitchcock, Macromolecules 38 (2005) 542.

Abstract ID: 1093

Compositional and orientational characterization of polymeric materials with NEXAFS microscopyH. Ade; 1; 1. North Carolina State University, Raleigh, NC, USA.

Abstract Body: The combination of composition- and orientation-sensitive near edge X-ray absorption fine structure

(NEXAFS) spectroscopy with high spatial resolution has opened up new avenues to characterize many soft- and hard-

condensed matter systems. Polymer-based materials is one of the many classes of materials to have benefited

greatly. I will review a number of applications in this area, including the characterization of polyethylene thin films,

polymer-clay nanocomposites, electro-spun fibers and pH-responsive vinyl polymer/silica colloidal nanocomposites.

The use of spatially resolved NEXAFS spectroscopy on short chain alkane crystals has also advanced the

understanding of organic van de Waals crystals and how intermolecular interactions contribute to the spectral features

observed.

Abstract ID: 1094

Sub-micron scale chemical characterization of tribiologically generated films using X-ray spectromicroscopy (X-PEEM)M. Kasrai; 1; M. A. Nicholls; 1; Z. Zhang; 1; G. M. Bancroft; 1; P. R. Norton; 1; E. S. Yamaguchi; 2; G. De Stasio; 3

; 1. Chemistry, University of Western Ontario, London, ON, Canada. 2. Chevron Oronite Company LLC, Richmond, CA, USA. 3. Department of Physics, University of Wisconsin-Madison, Richmond, WI, USA.

Abstract Body: As an antioxidant, antiwear and extreme pressure multi-function additive, zinc dialkyl-dithiophosphates

(ZDDPs) have been widely used in lubricating oils for over 50 years. The additive decomposes under rubbing to form

a protective film known as a tribofilm. In the past three decades, a number of different surface analytical techniques

have been utilized to analyze the composition of tribofilms in the boundary lubrication regime in order to understand

the mechanism of tribofilm formation. Most surface techniques give elemental composition of the tribofilms. However,

for a complete understanding of tribofilms formation and mechanism, it is necessary to know the chemical species as

well as the elements that are present in the films. A relatively new technique, namely, X-ray absorption near edge

structure (XANES) spectroscopy has emerged in the last ten years that has a great potential to answer some of the

questions in this field. At the same time, recent advances in X-ray microscopy has allowed for real-space chemical

analysis of thin films such as tribofilms to be investigated at submicron spatial scale using X-PEEM. In this

presentation the applications of the XANES and X-PEEM techniques for chemical characterization of tribofilms

generated from ZDDPs and other oil additives at macro and micro scale will be presented. It will be shown that

addition of detergents, a required component of engine oil, changes the morphology and chemistry of these films at

the submicron scale. The topography and nano-mechanical properties of tribofilms will also be presented using atomic

force microscopy (AFM) and imaging nano-indentation. These investigations allow us to correlate the chemical

properties of tribofilms with their mechanical properties.

Abstract ID: 1095

Imaging of organic surfaces with PEEM and MEEM: What is happening at organic/inorganic interfaces?N. Ueno; 1; 1. Faculty of Engineering, Chiba University, Chiba, Chiba, Japan.

Abstract Body: In organic devices, preparation of an organic thin film on an inorganic substrate with a topographical

surface and/or on a substrate consisting of different materials is required. Furthermore, the devices require the

deposition of metal electrodes on organic layers. In a vacuum deposited organic film, the film thickness and the

molecular orientation often depend on the topography of the substrate surface and the film-growth mechanism. A

structural and/or material inhomogeneity of the substrate surfaces results in changes of electronic states in the

interface region and affects the device properties. On the other hand, metals deposited on the organic layer react with

the molecules and can diffuse on and into the organic layer. These phenomena limit fabrication of metal

micro/nanostructures on organic films. We will introduce our studies on the diffusion, the growth and the reaction at

organic/inorganic interfaces using photoelectron emission microscopy (PEEM) and metastable electron emission

microscopy (MEEM). The contrast of an UV-excited PEEM image reflects the lateral distribution of the ionization

energy or the work function at the surface, while MEEM, in which electrons excited by impact of metastable atoms are

imaged, is more sensitive to the outermost surface layer than PEEM. The contrast of MEEM image thus offers an

direct information on lateral changes of the molecular orientation.

Abstract ID: 1096

Hard x-ray photoelectron emission microscopy for buried nanostructure imagingT. Taniuchi; 1; T. Wakita; 2; M. Suzuki; 2; N. Kawamura; 2; M. Takagaki; 2; M. Kotsugi; 3; H. Sato; 4; T.Wakayama; 4; K. Kobayashi; 2; M. Oshima; 1; H. Akinaga; 4; K. Ono; 5; 1. Department of Applied Chemistry, The University of Tokyo, Tokyo, Japan. 2. JASRI/SPring-8, Hyogo, Japan. 3. HiSOR, Hiroshima University, Hiroshima, Japan. 4. National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan. 5. High Energy Accelerator Research Organization (KEK), Tsukuba, Japan.

Abstract Body: We have performed the visualization and nanospectroscopy (nano-XAFS) of buried interfacial gold

nanostructures with hard x-ray photoelectron emission microscopy (PEEM). The imaging by hard x-ray PEEM has an

advantage of relatively large probing depth, as well as high spatial resolution and element-specific imaging. The hard

x-ray experiments were performed at the undulator beamline BL39XU of the SPring-8. The 20 nm thick Au

nanostructures covered by a Co capping layer, shown in Figure 1(a), were fabricated by electron beam lithography,

Au sputtering, lift-off and Co sputtering. The chemical contrast of the buried Au nanostructures with the 50 nm thick Co

capping layer was observed by hard x-ray PEEM near Au L-edge. The buried interfacial Au nanostructures were

clearly observed for Co capping layers of up to 200 nm. It should be noted that the probing depth of chemical contrast

was estimated to be as large as 300 nm, while that of nano-XAFS was 25 nm as shown in Figure 1(b).

Fig. 1 (a) Schematic image of the buried interfacial Au nanostructures. (b) Thickness dependence of nano-XAFS byhard x-ray PEEM in buried Au nanostructure. The photon energy corresponds to Au L3-edge.

Abstract ID: 1097

Nanostructured materials for device applicationsS. J. Heun; 1; 1. TASC-INFM Laboratory, Trieste, TS, Italy.

Abstract Body: The rapid progress of experimental techniques with access to chemical composition, electronic

structure, magnetization and fluctuations in these properties at the sub-micron level has been driven by the demand

imposed by the continuous miniaturization and increasing complexity of nanostructured materials used in modern

technology. X-ray photoelectron spectroscopy in combination with photoemission electron microscopy (PEEM) is

among the techniques which can provide this information. In my talk I will discuss the properties of selected

nanostructured material systems with possible device applications which we have studied in the last years by PEEM

and which illustrate the potential of this method in a particular way.

1. We investigated the chemical composition of semiconductor quantum dots (InAs/GaAs and Ge/Si). Concentration

maps across individual islands were obtained which provide insight in the intermixing process which occurs during the

growth of such islands.

2. The work function and the band bending of individual single-walled carbon nanotubes were studied. This is

essential for understanding the electrical contact between a metal electrode and the nanowire.

3. We studied the chemical composition of nanostructures created by local anodic oxidation with an atomic force

microscope on Si- and GaAs-substrates.

Abstract ID: 796

Intrinsic electron conduction mechanisms in moleculesM. Reed; 1; 1. Yale, New Haven, CT, USA.

Abstract Body: Electron devices containing molecules as the active region have been an active area of research over

the last few years. This talk presents measurements in a variety of molecular systems to elucidate the transport

mechanisms, specifically in self-assembled monolayers (SAMs) using nanometer scale devices. Detailed kinetic

studies are necessary to distinguish between different conduction mechanisms; for example, in alkanes temperature-

independent electron transport is observed, proving tunneling as the dominant conduction mechanism when defects

are eliminated from the device structure. This is distinct from Langmuir-Blodgett films, where only defect or

filamentary conduction has been observed. From the bias-dependence of a barrier height of 1.39 eV and a zero field

decay coefficient of 0.79 are determined for alkanethiols. Inelastic electron tunneling spectroscopy of the molecules in

the junction exhibits well-defined modes of the molecules in the junction and yields a measurement of the intrinsic

linewidths of these modes. Deviation from this classic behavior for more complex molecule structures and a

comparison of the differences and pitfalls of various fabrication and characterization approaches will be discussed.

Abstract ID: 797

Simple molecules as benchmark systems for molecular electronicsJ. M. van Ruitenbeek; 1; D. Djukic; 1; R. H. Smit; 1; C. Untiedt; 1; Y. Noat; 1; K. S. Thygesen; 2; N. D. Lang; 3; M.C. van Hemert; 4; K. W. Jacobsen; 2; 1. Kamerlingh Onnes Laboratory, Universiteit Leiden, Leiden, Netherlands. 2. Department of Physics, Technical University of Denmark, Lyngby, Denmark. 3. Thomas J. Watson Research Center, IBM Research Division, Yorktown Heights, NY, USA. 4. Gorlaeus Laboratory, Universiteit Leiden, Leiden, Netherlands.

Abstract Body: The early experiments aimed at probing the electronic transport properties of individual organic

molecules have shown that it is difficult to identify the number of molecules actually contacted and that the

characteristics observed vary widely between experiments. Under such conditions it is not surprising that there is also

very little agreement with calculations. This situation forms a strong motivation to study simple systems, that by

themselves will not be useful as molecular devices, but that may provide a more viable test system to identify the

problems in experiment and theory. The simplest molecule is dihydrogen, which has been shown can be contacted

between platinum electrodes in break junction experiments. It has the advantage that the junction can be

characterized in great detail. It has a conductance near the quantum unit carried by a single channel. Using point

contact spectroscopy (see figure) three vibration modes are observed and their variation upon isotope substitution is

obtained. The stretching dependence for each of the modes allows uniquely classifying them as longitudinal or

transversal modes. First steps towards experiments of other molecular systems (CO and acetylene) have been taken.

Differential conductance curve for D2 contacted by Pt leads. The lower curve shows the numerically obtainedderivative. The spectrum for H2 in the inset shows two phonon energies, at 48 and 62meV.

Abstract ID: 798

Transport and scanned probe investigations on chemically derived nanostructuresH. Park; 1; 1. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA.

Abstract Body: In this presentation, I will discuss transport and scanned probe studies of chemical nanostructures

performed in my laboratory. In the first part of my talk, I will describe the fabrication and characterization of single-

molecule transistors and show several examples including (1) the excitation of the internal vibrational motion of a

molecule induced by single-electron hopping, (2) the Kondo resonance in single-molecule transistor caused by

correlated spin screening and (3) electroluminescence from individual CdSe nanorods caused by inelastic electron

scattering. In the second part, I will discuss the syntheses and characterizations of various transition-metal-oxide and

chalcogenide nanostructures. The examples that will be discussed include (1) the synthesis of BaTiO3 nanowires and

the characterization of finite-size scaling of their ferroelectricity, (2) the synthesis of La1-xBaxMnO3 nanocubes and

the investigation of their magneto-transport property, (3) the synthesis of VO2 nanowires and the characterization of

their Mott metal-insulator transition and (4) the synthesis of NbSex nanobelts and the investigation of charge-density-

wave transport.

Abstract ID: 799

Molecular electronicsC. W. Bauschlicher; 1; 1. Center for Nanotechnology, NASA Ames Research Center, Moffett Field, CA, USA.

Abstract Body: I will describe our recent work on molecular electronics. I will describe calculations designed to

understand the bonding of molecules on an Au(111) surface; both molecule-Au bonding and molecule-molecule forces

will be discussed. In addition, I will describe our work on computing current-voltage (I-V) curves for molecules between

metal surfaces.

Abstract ID: 800

Field regulation of single molecule conductivity by a charged atomR. A. Wolkow; 1, 2; 1. Department of Physics, University of Alberta, Edmonton, AB, Canada. 2. National Institute for Nanotechnology, National Research Council of Canada, Edmonton, AB, Canada.

Abstract Body: A new concept for a single molecule transistor is demonstrated. A single chargeable atom adjacent to

a molecule shifts molecular energy levels into alignment with electrode levels, thereby gating current through the

molecule. Seemingly paradoxically, the silicon substrate to which the molecule is covalently attached provides 2, not

1, effective contacts to the molecule. This is achieved because the single charged silicon atom is at a substantially

different potential than the remainder of the substrates. Charge localization at one dangling bond is ensured by

covalently capping all other surface atoms. Dopant level control and local Fermi level control can change the charge

state of that atom. The same configuration is shown to be an effective transducer to an electrical signal of a single

molecule detection event. Because the charged atom induced shifting results in conductivity changes of substantial

magnitude, these effects are easily observed at room temperature. One electron is sufficient to achieve gating

because high gate efficiency is achieved. Because one electron achieves gating, compared to ~105 in a modern

transistor, enormous speed and minimal power consumption are implied.

Though enormous challenges must be overcome before this concept enables a new technology, it appears to be

worth facing those challenges.

Abstract ID: 801

Prospects on single molecule electronicsY. Wada; 1; 1. Nanotechnology Research Laboratory, Waseda University, Tokyo, Japan.

Abstract Body: Present information technologies use semiconductor devices and magnetic/optical discs, however,

they are all foreseen to face fundamental limitations within a decade. Therefore, superseding devices are required for

the next paradigm of high performance information processing. This paper reviews prospects for single molecule

devices for future information technologies and other advanced applications. The operation principles of these

devices are based on the phenomena occurring within a single molecule, such as single electron transfer, direct

electron-hole recombination, magnetic/charge storage and legand-receptor reaction. Possible four milestones for

realizing Peta (P:10E15) -FLOPS personal molecular supercomputer are proposed, (1) two terminal conductance

measurement on single molecule, (2) demonstration of two terminal molecular device characteristics, (3) verify three

terminal molecular device characteristics and (4) integrate the functions of molecular super chip. Current status and

necessary technologies of the first milestone are described and necessary technologies for the next three milestones

are also discussed. Architectures suitable for single molecule information processing, including von Neumann

architecture and quantum architecture, are also discussed.

Abstract ID: 802

Molecular transport structures: Elastic scattering and beyondM. Ratner; 1; A. NItzan; 2; M. Galpern; 1; 1. Chemistry Department and Center for Nanotechnology, Northwestern University, Evanston, IL, USA. 2. Chemistry Department, Tel-Aviv University, Tel-Aviv, Israel.

Abstract Body: Current experimental efforts are clarifying quite beautifully the nature of charge transport in so-called

molecular junctions, in which a single molecule provides the channel for current flow between two electrodes. The

theoretical modeling of such structures is challenging, because of the uncertainty of geometry, the nonequilibrium

nature of the process and the variety of available mechanisms. The talk will center on the first formulation of the

problem in terms of scattering theory and then on the generalizations needed to make that simple picture relevant to

the real experimental situation. These include vibronic coupling, structural disorder and energy transfer. Applications

include differential negative resistance, hysteresis and IETS spectra in transport junctions.

Documents

Personalized Itinerary Planner and Abstract Bookweb.nano.cnr.it/heun/wp-content/uploads/2013/06/planner.pdf · Time Session Info 7:30 AM-11:30 AM, Regency II (Royal Hawaiian), Synchrotron