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The Association of Chem 2011 Che Graduate Mon Jo mical Engineering Graduate Students Pre emical Engineer Student Sympo nday, September 26 ohnson Hall 102 esents the ring osium

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Page 1: The Association of Chemical Engineering Graduate Students ...depts.washington.edu › ... › 09 › 2011-Symposium-Program.pdfimportant properties such as clarity and stiffness. Block

The Association of Chemical Engineering Graduate Students Presents the

2011 Chemical Engineering

Graduate Student Symposium

Monday, September 26

Johnson Hall 102

The Association of Chemical Engineering Graduate Students Presents the

2011 Chemical Engineering

Graduate Student Symposium

Monday, September 26

Johnson Hall 102

The Association of Chemical Engineering Graduate Students Presents the

2011 Chemical Engineering

Graduate Student Symposium

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Welcome to the 2011 Graduate Student Symposium!

Hosted by the Association of Chemical Engineering Graduate Students (ACES)

ACES would like to welcome you to this year’s Chemical Engineering Graduate Student Symposium. We

have a great schedule of talks and poster presentations lined up showcasing the latest research in

biotechnology, energy, and molecular engineering. We hope that you have a stimulating day of learning

and engaging with the graduate students pursuing these exciting fields.

ACES at the University of Washington is a student-run organization with a commitment to providing

opportunities for graduate students to participate in professional development and outreach beyond

what is typically encountered during graduate studies. We believe that such extracurricular involvement

is crucial to student development and to a well-rounded graduate education.

The Graduate Student Symposium is held as a means for students to share their research with

colleagues, faculty and representatives from industry; and to showcase to the local community the

exciting work being done at the UW. The Symposium also serves as a forum in which students can

practice their presentation skills and gain valuable feedback from people outside of academics in their

field..

Thank you for attending! We are very excited to have guests from industry joining us this year and are

hoping to gain even more participation in years to come. We hope that you will share your positive

experiences with colleagues and return to participate next year. If you would like more information

about ACES events or would like to sponsor any future events, please contact

[email protected]. We would love your feedback on our organization and this event. Look

for future events and updates at http://depts.washington.edu/acesche.

Enjoy the day!

- The ACES Professional Development Committee

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Table of Contents

Campus Map…………………………………………………………………………………………………………………………...3

Symposium Agenda………………………………………………………………………………………………………….….….4

Keynote: Tough Plastics by Molecular Design, Frank S. Bates……………………………………………….…5

Oral Presentation Abstracts………………………………………………………………………………………………….…6

Poster Presentation Summary……………………………………………………………………………………………….16

Poster Presentation Abstracts……………………………………………………………………………………………….18

Acknowledgements……………………………………………………………………………………………………………….28

Parking and Campus Map

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Agenda

8:30am Coffee and Breakfast (Johnson Hall Lobby, outside of Room 102)

9:00am Dean O’Donnell Welcome Remarks

9:20am Eric Karp A trend in the Strength of Bonding of Oxygen-Containing

Intermediates on Pt(111) Surfaces, and its Implications in

Energy-Related Catalysis

9:40am TJ McDonald Kinetic and Thermodynamic Study of Nanoscale Engineered

LaxSr1-xCoO3-d Thin Film Electrodes through Linear and Nonlinear

Electrochemical Techniques

10:00am Prasad Bhosale Acoustic Spectroscopy and Electroacoustics of Gel Trapped

Colloids

10:20am Jeff Richards Structure and Properties of Porous Poly(3-hexylthiophene) Gel

Particles in Aqueous Dispersion

10:40am Break

11:00am Dr. Frank Bates Tough Plastic by Molecular Design

12:00pm Lunch (Mary Gates Hall Commons)

1:30pm Sathana Kitayaporn Orchestrated Structure Evolution: Co-deposition of Ni-Cu alloy

1:50pm Kurt Spies Hydrogen Generation by Electrocatalyic Reforming of Ethylene

Glycol on a Pt Electrode

2:10pm Brent Nannenga Improved Expression Vector for the Efficient Production of

Membrane Proteins

2:30pm Brandon Coyle A Robust Platform for 2D Crystallization of Membrane Proteins

through Nanotemplating and Directed Assembly

2:50pm Michael Robinson 3D Chemical Imaging of Single Cells

3:10pm Andrew Keefe Poly(Zwitterionic) Protein Conjugates: Relieving PEGylation

3:30-5:00pm Graduate Student Poster Competition (Johnson Hall Lobby)

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Keynote Address

Tough Plastics by Molecular Design

Frank S. Bates

Regents Professor and Department Head

Chemical Engineering and Materials Science

University of Minnesota

https://www.cems.umn.edu/about/people/faculty.php?id=20164

Monday, September 26, 2011

11:00am - 12:00pm

Johnson 102

Perhaps the most ubiquitous requirement for commercial polymer products is mechanical integrity.

Conventional approaches to imparting toughness to solid polymers include the addition of rubber

particles to glassy plastics such as polystyrene or increasing the amorphous content in semicrystalline

materials like polyethylene. Both methods necessitate balancing tradeoffs between toughness and other

important properties such as clarity and stiffness. Block copolymers provide a unique opportunity to

design tough plastics without sacrificing other desirable material features. A plethora of morphologies

can be developed with one-, two-, or three-dimensional order and with morphological dimensions

between 5 and 50 nm in scale. These compounds find applications as neat (undiluted) materials or as

additives to reactive monomers or bulk homopolymers. This presentation will address two categories of

brittle plastics that benefit from block copolymer modification: poly(cyclohexylethylene) a new optically

pristine plastic now under commercial development, and thermosetting epoxy, a high volume

commodity material that finds myriad applications across innumerable technological disciplines. Optimal

results require a combination of molecular (architectural) and morphological design, which rely on a

fundamental understanding of the principles that govern block copolymer self-assembly.

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Oral Presentation Abstracts

9:20am

A trend in the strength of bonding of oxygen-containing intermediates on Pt(111) surfaces, and its

implications in energy-related catalysis

Speaker: Eric Karp

Principal Investigator: Charles Campbell

The bond energies of methoxy and hydroxyl on the Pt(111) surface were measured using single crystal

adsorption calorimetry (SCAC). These values resulted in a trend between the metal-ligand bond

energies and their corresponding hydrogen-ligand bond energies in the gas phase. The measured bond

energies for Pt--OCH3, Pt--OD and the resulting trend, allows for the prediction of other oxygen

containing adsorbed intermediates that we could not measure. This trend will be discussed along with

its application in predicting the stability of other catalytic intermediates and the energetic feasibility of

proposed catalytic pathways.

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9:40am

Kinetic and Thermodynamic study of Nanoscale Engineered LaxSr1-xCoO3-d Thin Film Electrodes

Through Linear and Nonlinear Electrochemical Techniques

Speaker: T.J. McDonald

Principal Investigator: Stu Adler

Many advanced technologies are constrained by limitations of oxygen transport (within solids) and the

Oxygen Reduction Reaction (ORR). Applications such as Solid Oxide Fuel Cells (SOFCs), Solid Oxide

Electrolyzer Cells (SOECS), gas sensors, and air separation membranes would benefit from optimization

of these processes.

Non Linear Electrochemical Impedance Spectroscopy (NLEIS) can be used to study the processes

governing the electrochemical behavior of mixed conducting, solid oxide fuel cell electrodes. The NLEIS

technique uses a moderate amplitude sinusoidal current input, and analyzes the non-linear harmonic

voltage responses. NLEIS differs from the widely used Electrochemical Impedance Spectroscopy (EIS) in

its ability to probe non-linearities; providing access to mechanism-specific information. Understanding

the mechanisms and relative importance of reactions, ionic transport, and material thermodynamics is

the first step in engineering high efficiency materials

O2 reduction kinetics on heteroepitaxial thin films of LaxSr1-xCoO3-δ, were investigated using NLEIS.

Testing was done on films with two different dopant amounts (x =6, x = 8), on both heteroepitaxial films

as well as semi amorphous films, over a range of temperatures and partial pressure of oxygen, and over

a range of film thicknesses (25 - 90 nm). The nonlinear harmonics were compared to a previously

proposed rate limiting kinetic mechanism [1], for a larger dense thin film of La0.6Sr0.4CoO3-δ. Additionally,

thermodynamic properties of the current thin film were compared to bulk material and the previously

studied dense films; yielding significant differences in thermodynamic behavior.

The thermodynamic behavior, of the current thin films, was obtained from both the non-linear

harmonics (NLEIS data) and from the capacitances (EIS data). Values obtained were in close agreement

(analysis of EIS data was based on a thermodynamic model put forth by Mizusaki et al and Lankhorst et

al) [2,3]. Reasons for the discrepancies between bulk and thin film materials, as well as a materials

characterization of the thin films, will be discussed.

[1] J. R. Wilson, M. Sase, T. Kawada, and S.B. Adler, Electrochemical and Solid State Letters, 10 (5), B81-

B86 (2007).

[2] J. Mizusaki, Y. Mima, S. Yamauchi, K. Fueki, H. Tagawa, Journal of Solid State Chemistry, 80 (1), 102-

111 (1989).

[3] M. H. R. Lankhorst et al. Journal of Solid State Chemistry, 133 (2), 555-567 (1997).

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10:00am

Acoustic Spectroscopy and Electroacoustic of Gel Trapped Colloids

Speaker: Prasad Bhosale

Principal Investigator: John Berg

Gel trapped particles have wide spread applications in food and pharmaceutical industries. However,

techniques for characterizing gel-trapped particles size distribution and electrical properties remain

rather limited, especially for dense or opaque systems. Conventional light scattering or centrifugation

techniques are developed for Newtonian mediums and require special conditions such as, the use of

transparent gels (matching refractive index of polymer and liquid) and low particle concentration to

characterize particles. The technique of acoustic spectroscopy and electroacoustics offers some

significant advantages over conventional techniques for the characterization of dense colloidal

dispersions in that it does not require the systems be highly dilute and transparent. Another advantage

of the acoustic methods may derive from the fact that in applications, the relative motion between any

particle and the medium is very small compared to particle diameter. It may thus be suited, within

limits, to the study of dispersions in polymer gels, without the additional limitation of conventional

methods to transparent media.

The present work seeks to probe experimentally the limits of the acoustic spectroscopy for the

determination of gel trapped particle size distributions and examine the electroacoustics of particles

dispersed in polymer gels with the particle size less than or greater than the gel mesh size. The particle

size distribution (PSD) was successfully measured by acoustic spectroscopy theory for dispersions in

Newtonian media provided that the hydrodynamic particle diameter was less than the hydrodynamic

mesh size of the gel (mesh size/particle size >1.5). In electroacoustic measurements when the particles

are smaller than the gel mesh size, their acoustic vibration is resisted by only the background water

medium, and the measured dynamic electrophoretic mobility, μd, is the same as that in water. For the

case of particles larger than the gel mesh size, μd, the measured mobility μd remains constant as mesh

size is decreased, i.e., storage modulus G’ characterizing cross linking density increased, up to a critical

value of 300 Pa, beyond which it decreases steeply. The degree of trapping, as varied by either

decreasing mesh size at a constant particle size, or increasing particle size at a constant mesh size, did

not alter the mobility below the critical value G’ (300 Pa).

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10:20am

Structure and Properties of Porous Poly(3-hexylthiophene) Gel Particles in Aqueous Dispersion

Speaker: Jeff Richards

Principal Investigator: Danilo Pozzo

The demand for thin-film solar cells has increased significantly because modules can be inexpensively

produced using scalable roll-to-roll processing techniques. We have developed aqueous dispersions of

colloidal poly(3-hexylthiophene) (P3HT) gel particles that can serve as solution-processable inks for

active layer materials in polymer solar cells. Bulk P3HT organogels have been emulsified into water to

produce sub-micron gel particles that are stabilized with surfactant. The emulsification process produces

stable dispersions of porous P3HT particles that maintain a high crystallinity, high porosity and the

networked structure of the original organogel. The optical characteristics, structure and stability of the

resulting gel particles have been thoroughly assessed using spectroscopy, neutron scattering, DLS and

electron microscopy. It is shown that the P3HT particles retain the crystallinity and high degree of

intrachain order with no evidence of doping. Simple processing is demonstrated via spray-coating of the

dispersions. Thin-films have been prepared and their structure and properties have been characterized.

The use of gel particle dispersions opens up a new avenue to produce thin-films for polymer solar cells

and organic electronic applications while minimizing the need for post-processing.

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1:30pm

Orchestrated Structure Evolution: Co-deposition of Ni-Cu alloy

Speaker: Sathana Kitayaporn

Principal Investigator: Daniel T. Schwartz

Orchestrated structure evolution (OSE) is a method that combines the molecules, algorithms, and self-

propagating growth processes (bottom-up) with tool-directed patterning (top-down) to minimize cost

and reduce the build time for a nanopatterned substrate while providing flexibility and high quality

nanomanufactured products[1, 2]. The OSE process starts by patterning “seeds” with a reconfigurable

tool such as dip-pen nanolithography (DPN), electron-beam lithography (EBL) or electrochemical printing

(EcP)[3-5]. Seeds are nucleation initiators (proteins, seed crystals, catalyst, nanoelectrodes, etc.) that

can be patterned to initiate growth that propagates into the final patterned thin film.

We expand the OSE concept by investigating the interaction of seed configuration and patterning on the

composition of binary nickel/copper alloy. A Greens function mass transfer model is used to compute

the incorporation of copper into each growing seed. Nickel is added to the seed at a charge-transfer

limited rate. Simulations of the growth rate and composition of an OSE thin film is compared with

experiments that use EBL to pattern seeds on an electrode. We show that the composition of an alloy

thin film depends on the seed configuration as well as the pattern shape. Areas with high local mass

transfer, such as isolated small seeds or high aspect ratio regions of a pattern produce high Cu alloy. The

ability to use seed configuration to control local composition in a thin film is explored. We show that

OSE provides a new degree of design to the creation of patterned thin films.

Acknowledgments

This work is supported by the National Science Foundation grant CMMI-0709131. Portions of the work

were performed at the University of Washington node of the National Nanotechnology Infrastructure

Network (NNIN).

[1] K. Sathana, J.H. Hoo, K.F. Bohringer, F. Baneyx, D.T. Schwartz, Nanotechnology, 21 (2010) 195306.

[2] A. Shaghayegh, et al., Nanotechnology, 22 (2011) 165303.

[3] B.D. Gates, Q. Xu, M. Stewart, D. Ryan, C.G. Willson, G.M. Whitesides, Chemical Reviews, 105 (2005)

1171-1196.

[4] D.S. Ginger, H. Zhang, C.A. Mirkin, Angewandte Chemie International Edition, 43 (2004) 30-45.

[5] S. Roy, J. Phys. D-Appl. Phys., 40 (2007) R413-R426.

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1:50pm

Hydrogen Generation by Electrocatalyic Reforming of Ethylene Glycol on a Pt Electrode

Speaker: Kurt A. Spies

Principal Investigator: Eric M. Stuve

Biofuels continue to receive national attention motivated by concerns about a finite energy supply,

geopolitical issues surrounding petroleum imports, and the environmental impact of fossil fuels.

Biomass is an abundant resource, but is not easily converted to a usable transportation fuel. The

aqueous phase reforming (APR) process [1] shows promise for converting compounds derived from

biomass into hydrogen and alkanes at moderate temperatures (225°C) in an aqueous phase. However,

hydrogen selectivity in APR is a concern, especially as carbon chain length of the feed molecules increase

[2]. An alternative and complementary process for reforming carbohydrates is electrocatalytic reforming

which involves electrooxidation of a carbohydrate or prototypical carbohydrate and reduction to

produce hydrogen at the cathode. In this work we use ethylene glycol as a prototypical carbohydrate, as

it is the simplest sugar-like molecule. The reactions of study are:

C2H6O2+2H2O ↔ 2CO2+10H++10e

- (1)

2H++2e

- ↔H2 (2)

Protons formed at the anode reduce and form gaseous hydrogen at the cathode. The formation of

hydrogen away from the reacting mixture simplifies hydrogen removal and purification, providing an

extra benefit of electrocatalytic reforming. Successful electrocatalytic reforming rests largely on

effective electrooxidation, which typically is hampered by formation of poisons at the anode [3], The

objective of this work is to examine electrooxidation at elevated temperature in aqueous phase to

determine whether desorption of poisons at high temperature permit effective electrooxidation. We

have developed a reactor that utilizes proton exchange membrane fuel cell architecture while operating

at up to 120°C and up to 30 atm with a liquid phase reactant. The reaction is monitored

electrochemically by cyclic voltammetry and step potential measurements and reaction products are

measured by gas and liquid phase chromatography.

Results for ethylene glycol oxidation up to 120°C including effective activation energy, tafel kinetics, and

concomitant hydrogen production will be presented and the prospects of electrocatalytic reforming

explored. Further work to explore aqueous phase electrooxidation of ethylene glycol above 120°C will

be discussed, along with ongoing work on high temperature ionomer materials for an improved

electrolyte membrane.

[1] G. Huber and J. A. Dumesic Catal. Today, 111, 119,(2006).

[2] R. Cortright, R. Davda, and J. A. Dumesic, Nat., 418,964, (2002).

[3] H. Wang, Z. Jusys, and R. J. Behm Electrochim Acta,54, 6484 (2009).

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2:10pm

Improved Expression Vector for the Efficient Production of Membrane Proteins

Speaker: Brent L. Nannenga (rising 5th

year student)

Principal Investigator: François Baneyx

Membrane proteins (MPs) account for 20-30% of the genomes sequenced and are important

pharmacological and therapeutic targets, as well as having uses in the emerging field of

nanobiotechnology. To date, this potential remains largely untapped because MPs are extremely

difficult to produce, and because little is known about their structure and function. In order to advance

the study and application of these important proteins, robust strategies facilitating the production of

functional MPs at high levels are necessary. Here, I will describe the isolation, characterization, and use

of a novel expression vector for improved MP production in E. coli. When used in conjunction with

expression strains that have been engineered for MP expression, this improved expression vector can

the increase the yields of properly folded overexpressed MPs by as much as 4-fold.

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2:30pm

A Robust Platform for 2D Crystallization of Membrane Proteins through Nanotemplating and Directed

Assembly

Speaker: Brandon Coyle (4th

year student)

Principal Investigator: François Baneyx

In spite of the tremendous relevance to cell biology and medicine, roughly 300 membrane protein (MP)

structures have been solved to date. While X-ray crystallography and NMR spectroscopy are increasingly

adept at the task, no generic sample preparation protocols exist. As such, crystallization trials are

optimized on a case-by-case basis. Relying on 2D rather than 3D crystals, electron crystallography offers

an attractive alternative. Advantages include: (i) smaller protein amounts mitigate MP overexpression

difficulties; (ii) direct assay of MP function enables rigorous structure-function correlation; and (iii) 2D

crystals are robust. However, obtaining a complete protein structure requires hundreds of crystals. To

date, 2D crystal production is the major bottleneck to electron crystallography MP structure

determination. The talk will focus on the first steps of a bold and holistic approach to fabricate tailored

nanoscale templates that drive the facile 2D crystallization of a broad range of MP’s fitted with

inorganic-binding tags.

The research is supported by

NSF-MRSEC Program through the University of Washington GEMSEC (DMR 0520567).

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2:50pm

3D Chemical Imaging of Single Cells

Speaker: Michael Robinson

Principal Investigator: David G. Castner

Using a dual beam approach, we have successfully an intracellular lipid domain, possibly the the nuclear

membrane, of a biological single cell (fibroblast 3T3). We were able to visualize this in a full 3D image

stack by correcting the data in the z-direction using in-house software and reducing the opacity of the

outer lipid layer, as seen in below. This lays the groundwork necessary for future experiments that seek

to localize, in three dimensions, metabolites, drugs or nanoparticles that have accumulated inside of a

cell. Three dimensional is essential for accurately describing where these components are inside of a

cell. The pixel shift is necessary to compensate for imaging non-flat surfaces and allows the ability to

determine exactly where in z a component is located. This correction was first described in [1].

Combined AFM and ToF-SIMS experiments have shown that the sputter rate through these cells is

constant, a necessity for the correction to work properly. The sputter rate was calculated to be about

10 nm per 1.25 x1013

ions/cm2 of C60

++.

The intensity of many important cellular structures (lipids, etc) quickly degrade during bombardment

with C60, reducing the quality and sensitivity of depth profile and 3D datasets. These can be dramatically

improved by increasing the intensity throughout acquisition. We have found that by decreasing the salt

chloride concentration, these signals display higher counts, which agrees with similar results in protein

films [2]. Cells that were plunge frozen in liquid ethane and freeze dried have been compared with cells

fixed with 4% paraformaldehyde followed by light or heavy rinses, as well as those analyzed frozen

hydrated to determine which yielded the highest intensities of organic peaks throughout a depth profile.

The lowest intensities were detected from the freeze dried cells, which also exhibited the highest

chloride intensity. The the largest organic and lowest chloride intensities came from fixed, heavily rinsed

cells. The effect of frozen hydrated analysis as it applies to the increase in ionization of organic peaks in

single cells is still being studied, but preliminary data indicates that the behavior may be similar to that

described in protein films in [3]: little to no increase in yields in lower mass molecular fragments, but a

larger increase in ionization in higher molecular weight fragments.

[1] Breitenstein, D, et al. Angewandte Chemie, Int. Ed. 46(28), 2007, 5332-5335.

[2] Piwowar, A., et al. Anal. Chem, 81(3), 2009, 1040-1048

[3] Piwowar, A., et al. Anal. Chem., 82 (19), 2010, 8291–8299

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3:10pm

Poly(Zwitterionic) Protein Conjugates: Relieving PEGylation

Speaker: Andrew Keefe

Principal Investigator: Shaoyi Jiang

Maintaining both the stability and bioactivity of therapeutic proteins has been one of the most difficult

tasks in biotechnology. The current PEGylation technique maintains stability of proteins at the expense

of their binding affinity. Here, we report a new concept in protein-polymer conjugation based on

zwitterionic polymers such as poly(carboxybetaine) (pCB) to resolve this fundamental issue. Our results

show that pCB-protein conjugates not only have increased stability, but retain or improve binding

affinity due to enhanced protein-substrate hydrophobic-hydrophobic interactions. In contrast,

conjugates possessing poly(ethylene glycol) (PEG) have increased stability, but with significantly lower

affinities due to steric hindrance between the substrate and the active site. This chemistry opens a new

avenue to develop protein therapeutics by not having to compromise between stability and affinity.

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Poster Presentation Title Summary

CcrR, a TetR-family transcriptional regulator, activates the transcription of a key gene of EMC pathway

in Methylobacterium extorquens AM1

Bo Hu, Mary Lidstrom

A Comparative Study on the Enhanced Sampling of Small Peptides

Michael Deighan, Jim Pfaendtner

The Effect of Biomaterial Surface Chemistry on the Development and Functions of Dendritic Cells

Christina Yacoob, Hong Shen

Engineering Proteins for 2D Self Assembly

James Matthaei , François Baneyx

High-Performance Multilayered Blue Phosphorescent Organic Light-Emitting Diodes achieved by

Sequential Solution-Processing Method

Taeshik Earmme, Eilaf Ahmed, Samson A. Jenekhe

Improving the Expression of Functional Membrane Proteins in Escherichia coli

Brent L. Nannenga, François Baneyx

Interfacial Structure of Nanoparticle Stabilized Emulsions

Kjersta Larson-Smith and Danilo C Pozzo

Investigating the Candida rugosa lipase activation mechanism using multiscale simulation

Patrick Burney, Jim Pfaendtner

Low-Cost Solar Cells from Nanocrystal Inks: The Importance of Size

Cori Bucherl, Andrew Collord, Hugh W. Hillhouse

Measurement of PDMS/Water Partition Coefficients of Trace Organics Contaminants Using Raman

Spectroscopy

Ikechukwu C. Nwaneshiudu, Qiuming Yu, Daniel T. Schwartz

Nanoscale Mobility Characterization In Organic Systems

Lakshmi Suhasini Kocherlakota, Renee Overny

Numerical Simulations of Intracellular Temperature Distribution During Nanoshell Enabled

Photothermal Therapy (No abstract)

Hai Nguyen, Hong Shen

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Photophysics and Ambipolar Field-Effect Charge Transport in Heterojunction Thin Films of Polymer

Semiconductors

Felix Sunjoo Kim, Eilaf Ahmed, Selvam Subramaniyan, Samson A. Jenekhe

Simulation, Design, and Characterization of Microeddy Hydrodynamic Tweezers

Tyler House, Daniel T. Schwartz

Structural analysis of protein complexes with sodium alkyl sulfates (No abstract)

Monica Ospinal-Jimenez, Danilo Pozzo

Structural and Rheological Investigation of Fully Hydrated Fibrin Gels: an In-Situ Neutron Scattering

Study of Structural Transitions under Shear Deformation

Kathleen Weigandt, Lionel Porcar, Danilo Pozzo

Structure-Property Relationships in Conjugated Polymer Networks

Greg Newbloom, Kathleen Weigandt, Danilo Pozzo

Synthesis of Iron Pyrite (FeS2) Semiconducting Nanocrystals: Polymer-Assisted Hydrothermal and Hot

Injection Methods

John Bae, Leize, Qiuming Yu

Toward High-Efficiency Solar Cells: Double Gyroid Devices

Robert McCarthy, Hugh W. Hillhouse

Toward High-Efficiency Solar Cells: The Double Gyroid Nanostructure

Steven Gaik, Hugh W. Hillhouse

Understanding the effect of Gelation Conditions on the Self-Assembly of Conjugated Polymers

Pablo DeLa Iglesia, Danilo Pozzo

Using Diblock Copolymer Approach to Improving Performance of Organic Photovoltaic Cells

Guoqiang Ren, Samson Jenekhe

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Poster Presentation Abstracts

CcrR, a TetR-family transcriptional regulator, activates the transcription of a key gene of EMC pathway

in Methylobacterium extorquens AM1

Bo Hu, Mary Lidstrom

M. extorquens AM1 has been considered a promising biotechnological platform due to the relatively

inexpensive substrates and high flux through intermediates of biotechnology interest that are involved

in the C1 and C2 assimilation. In this study, a TetR-type activator, CcrR, has been shown to regulate the

expression of crotonyl-CoA reductase/carboxylase, a key enzyme of the ethylmalonyl CoA pathway

involved in assimilation of C1 and C2 compounds in Methylobacterium extorquens AM1. The ccrR

mutant is impaired in its ability to grow on C1 and C2 compounds, correlating with the reduced activity

of crotonyl-CoA reductase/carboxylase. Promoter fusion assays have demonstrated that the expression

of the promoter involved in ccr expression (the katA-ccr promoter) decreased as much as 50% in the

absence of CcrR compared to that in wild type M. extorquens AM1. The results of gel mobility shift

assays confirmed that CcrR binds to the region upstream of the katA-ccr promoter. A palindrome

sequence upstream of katA at position -334 to -321 with respect to the translational start site was found

to be the binding site and mutations in this region eliminated gel retardation with CcrR. This work is not

only the first step in understanding the regulation mechanism of the EMC pathway, but also sets the

stage for identifying additional regulatory elements, information that will be key to manipulating the

EMC pathway for biotechnological applications.

--------------------------------------

A Comparative Study on the Enhanced Sampling of Small Peptides

Michael Deighan, Jim Pfaendtner

Molecular dynamics (MD) provides a useful way to investigate the underlying thermodynamics and

kinetics of a system that are difficult to resolve by experiment alone. However, MD as it stands is

insufficient when the subject of interest involves large-scale conformational changes (e.g., soft-matter

systems such as proteins or polymers). These events tend to occur on the order of microseconds or

longer, a timescale far beyond the range of MD. In response to this, numerous enhanced sampling

algorithms have been developed to effectively explore conformational space in a reasonable amount of

time. Two common classes of methods for overcoming energy barriers are: 1) those that manipulate a

system’s energy by adding an external bias (e.g., umbrella sampling or metadynamics) and 2) those that

periodically expose a system to temperatures above the melting point (e.g., parallel tempering).

The work we present focuses on the convergence of conformational sampling and thermodynamic

energy landscapes of an explicitly solvated 20-residue tryptophan-cage protein (Trp-cage). Three types

of simulations are compared: classical parallel tempering (PT) [1], parallel tempering and well-tempered

metadynamics (PT-WTM) [2], and a new method that uses metadynamics within the well-tempered

ensemble of Bonomi and Parrinello [3]. This new method allows for a broad temperature range to be

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sampled using many fewer replicas than PT or PT-WTM. Not only does this approach significantly reduce

computational cost – compared to the aforementioned methods – but it also enables the possibility of

scaling to systems larger than what was previously considered practical for PT simulations.

[1] Sugita & Okamoto, Chem. Phys. Let. 314, 141-151 (1999)

[2] Barducci et al., Biophys. Jour. 98, L44 (2010)

[3] Bonomi & Parrinello, Phys. Rev. Let. 104, 190601 (2010)

--------------------------------------

The Effect of Biomaterial Surface Chemistry on the Development and Functions of Dendritic Cells

Christina Yacoob, Hong Shen

Immunogenic responses can be induced when biomaterials are implanted in the body. Dendritic cells

(DCs), key antigen presenting cells, play a major role in initiating immune reactions and link innate and

adaptive immunity. In this study, the effects of biomaterial surface chemistry on DC phenotypes and

functions were examined using self-assembled monolayer (SAM)-functionalized substrates. Chemical

groups, including OH, SO3Na, COOH, and CH3 present in alkanethiols, were chosen to mimic the surface

chemistry present on typical biomaterial surfaces. Contact angles of each substrate were consistent with

the literature values. The presence of each chemical group was confirmed by FT-IR. The topology of each

substrate was examined by AFM.

DCs on the OH-terminated SAM displayed a higher level of maturation compared to that of other

functionalized groups. DCs on OH and SO3Na-terminated SAMs showed elevated levels of the pro-

inflammatory cytokine interleukin-6 (IL-6). Though the production of regulatory cytokine interleukin-10

(IL-10) by DCs on SAMs was nominal, DCs on CH3-terminated SAMs exhibited a significant higher level.

Our results demonstrate that the hydrophobicity of biomaterials may play a role in DC maturation

towards either tolerogenic or immunogenic phenotypes, although overall, these monolayers are

relatively inert.

--------------------------------------

Engineering Proteins for 2D Self Assembly

James Matthaei , Frank Dimaio, Yongdong Liu, David Baker, François Baneyx

Self-assembly is of great importance to nanotechnology because it is one the most effective strategies to

fabricate highly ordered nanostructures[1]. It is also a hallmark of many biological systems. For

example, Surface layer (S-layer) proteins, self-assemble into crystalline 2-D arrays of oblique, square and

hexagonal symmetry with pore sizes ranging from 2 to 8nm. S-layers have been used for applications

ranging from ultrafiltration membranes, to attachment layers for biosensor design, to templates for the

synthesis of ordered metal and metal oxide nanoarrays[2,3]. They however have limitations including

the lack of structural information, the fact that many genes encoding S-layers have not been cloned,

difficulties in expressing or isolating large amounts of protein, the co-existence of multiple pores with

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different sizes and shapes, a characteristic sheet size in the µm range, and an intrinsic curvature in the

array. Here, we report on the computational design and

does not suffer from these limitations and self

single ≈3nm pore upon addition of calcium

[1] Whitesides, G.M. and B. Grzybowski,

2421.

[2] Sleytr, U.B., et al., S-Layers as a basic building block in a molecular construction kit.

2007. 274(2): p. 323-334.

[3] Allred, D.B., et al., Three-dimensional architecture of inorganic nanoarrays

a surface-layer protein mask. Nano Letters, 2008.

High-Performance Multilayered Blue Phosphorescent Organic Light

Sequential Solution-Processing Method

Taeshik Earmme, Eilaf Ahmed, Samson A. Jenekhe

Phosphorescent organic light-emitting diodes (PhOLEDs) have been extensively investigated over the

recent years for high-performance and various applications in the display technology. However, cu

high-performance PhOLEDs have largely been focused on thermal evaporation processes of small

molecules to obtain multilayered device structures, which directly affect the fabrication cost and also

not suitable for large area devices. Here we report h

sequential solution-processed layers, enabled by new series of solution

different sizes and shapes, a characteristic sheet size in the µm range, and an intrinsic curvature in the

report on the computational design and construction of an artificial S

does not suffer from these limitations and self-assembles into a hexagonal 2D crystalline array

≈3nm pore upon addition of calcium ions.

hitesides, G.M. and B. Grzybowski, Self-assembly at all scales. Science, 2002. 295

Layers as a basic building block in a molecular construction kit.

dimensional architecture of inorganic nanoarrays electrodeposited through

Nano Letters, 2008. 8(5): p. 1434-1438.

--------------------------------------

Performance Multilayered Blue Phosphorescent Organic Light-Emitting Diodes achieved by

ing Method

Taeshik Earmme, Eilaf Ahmed, Samson A. Jenekhe

emitting diodes (PhOLEDs) have been extensively investigated over the

performance and various applications in the display technology. However, cu

performance PhOLEDs have largely been focused on thermal evaporation processes of small

molecules to obtain multilayered device structures, which directly affect the fabrication cost and also

not suitable for large area devices. Here we report high-performance blue PhOLEDs achieved by three

processed layers, enabled by new series of solution-processable n

19

different sizes and shapes, a characteristic sheet size in the µm range, and an intrinsic curvature in the

l S-layer protein that

assembles into a hexagonal 2D crystalline array with

295(5564): p. 2418-

Layers as a basic building block in a molecular construction kit. Febs Journal,

electrodeposited through

Emitting Diodes achieved by

emitting diodes (PhOLEDs) have been extensively investigated over the

performance and various applications in the display technology. However, current

performance PhOLEDs have largely been focused on thermal evaporation processes of small

molecules to obtain multilayered device structures, which directly affect the fabrication cost and also

performance blue PhOLEDs achieved by three

processable n-type organic

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semiconductors based on starburst dendritic oligoquinolines are synthesized and developed as electron-

transport and hole-blocking materials for PhOLEDs. Using solution-processable electron-transport layers

(ETLs), we observe a large improvement of the device performance compared to vacuum deposited ETL.

By virtue of the high electron mobility and a deep HOMO energy level, dendritic oligoquinolines serves

as an efficient electron-transport layer (ETL) and a good hole-blocking layer (HBL). The unique

oligoquinoline ETL surface formed by solution-processing enables the high quality ETL/Al interface

formation, resulting in efficient electron-injection/transport into the devices. We expect the solution-

processing approach demonstrated here for high performance blue PhOLEDs to be also applicable to

different colors of OLEDs / PhOLEDs as well as other solution-processed multilayered organic electronic

devices.

--------------------------------------

Improving the Expression of Functional Membrane Proteins in Escherichia coli

Brent L. Nannenga, François Baneyx

Membrane proteins (MPs) account for 20-30% of the genomes sequenced to date and hold great

potential as therapeutic targets, as well as for practical applications in bionanotechnology that range

from selective nanochannels to solar energy harvesting. This potential remains largely untapped

because MPs are difficult to express and little is known about their structure and function. Here we

describe folding engineering strategies that improve the yields of functional MPs in E. coli by 3-to-7 fold.

--------------------------------------

Interfacial Structure of Nanoparticle Stabilized Emulsions

Kjersta Larson-Smith and Danilo C Pozzo

Particle-stabilized emulsions (Pickering emulsions) are formed when oil is mechanically dispersed into

water in the presence of finely ground solid particles. Pickering emulsions of micron sized particles are

known to be sterically stabilized by close-packed microparticles that form an elastic shell. However,

emulsions with nanoparticles are less stable because the particles are only loosely bound to the

interface. The energy barrier necessary for particles to detach from the oil-water interface scales with

the particle radius squared, therefore nanoparticle adsorption is much more sensitive to solvent

conditions and thermal fluctuations. Small-Angle Neutron Scattering (SANS) and Small-Angle X-ray

Scattering (SAXS) are used to examine nanoparticle adsorption at a hexadecane-water interface in situ.

We show the highest particle adsorption occurs in emulsions with moderate ionic strength due to a

reduced electrostatic repulsion and low pH because of neutralized oil and particle surface charges.

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Investigating the Candida rugosa lipase activation mechanism using multiscale simulation

Patrick Burney, Jim Pfaendtner

Lipase enzymes are a common component of most pathways for metabolizing lipids. They catalyze the

breakdown of large lipid structures by means of hydrolyzing ester bonds. Their importance in this role

explains why human lipases have been implicated in a variety of health conditions, including heart

disease and diabetes. Industrial utilization of lipases (purified from various microorganisms) has

predominantly been for food production and in detergents, yet in the past decade for the production of

biodiesel and other sustainable fuels from plant-derived substrates.

Despite their importance in both technological application and human health, little is known about the

dynamics of lipases at the atomic level. Previous experimental investigations have shown a common

structural motif among lipases is a flap-like domain that protects the active site from the solvent until in

the enzyme contacts a solvent-lipid interface. The C. rugosa lipase (CRL) structure has been resolved for

both the flap-open and flap-closed states. The two states have almost identical structure, except for the

26 amino-acid flap, which differs by 17 Angstrom between the open and closed states. This similarity has

led to the conclusion that the flap-opening mechanism is a hinge-like motion. Given the importance of

this conformational change in regulating lipase activity, the molecular details of the flap mechanism are

essential knowledge for engineering improved lipases. However, direct observation of this process is

difficult or impossible via experiment alone. Therefore, we have used molecular and coarse-grained

simulations to investigate the behavior of CRL in explicit water. The major challenge of using classical

MD in investigating conformational rearrangement and rare events (e.g., flap opening/closing) lies in

sufficient sampling. As we demonstrate, even microsecond-long simulations of the all-atom (AA) system

cannot provide enough sampling to calculate the equilibrium probability distribution of this process. We

use the AA simulation trajectories to develop coarse-grain (CG) models based on the recently developed

ED-CG [1] method. The ED-CG models help identify dynamically similar domains within the open and

closed states. Finally, we use the metadynamics [2] algorithm to calculate the free-energy landscape

and identify key structural transitions in the opening and closing process.

[1] Z. Zhang, L. Lu, W.G. Noid, V. Krishna, J. Pfaendtner, and G.A. Voth (2008). “A Systematic

Methodology for Defining Course-Grained Sites in Large Biomolecules.”Biophysical Journal 95: 5073-

5083.

[2] A. Laio and M. Parrinello (2002). "Escaping free-energy minima." PNAS 99(20): 12562-12566.

--------------------------------------

Low-Cost Solar Cells from Nanocrystal Inks: The Importance of Size

Cori Bucherl, Andrew Collord, Hugh W. Hillhouse

Nanocrystal inks, namely CuInGaS2 and Cu2ZnSnS4, offer a promising, low-cost, environmentally benign,

and scalable method for solar photovoltaic production. Here, we present plans for determining the

impact of nanocrystal size on final device performance. To that end, we also present the potential of

mathematical simulations to predict growth of nanocrystals in solution and provide control parameters

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that can be utilized during syntheses to control the size and size distribution of the nanocrystal product.

Identifying optimal nanocrystal sizes and controlling the reaction to produce those sizes with narrow

distributions would maximize reaction yield, minimize incorporation of surface impurities into films, and

allow for optimal packing density for more highly uniform annealed continuous crystalline domains.

--------------------------------------

Measurement of PDMS/Water Partition Coefficients of Trace Organics Contaminants Using Raman

Spectroscopy

Ikechukwu C. Nwaneshiudu, Qiuming Yu, Daniel T. Schwartz

An optical method was developed to quantify the partitioning of trace organics into

polydimethylsiloxane (PDMS) matrices. The use of PDMS in research areas such as microfluidics and

solid phase micro-extraction (SPME) techniques has made it a polymer of interest in many disciplines.

Previous work utilized PDMS in a coupled SPME/Raman platform to detect trace BTEX (benzene,

toluene, ethylbenzene, xylene) fuel components, which are extracted from contaminated water and pre-

concentrated into the PDMS polymer matrix[5]

. Here we demonstrate the use of SPME/Raman to

estimate PDMS/organic partition coefficients (KPDMS/WATER). Partition coefficients for benzene and toluene

where obtained by comparing linear correlations of organic and aqueous experiments at the linear

dynamic range (LDR). The obtained values were in good agreement with those obtained using

conventional quantitative SPME techniques. We extend the method to analyze organics with unknown

partition coefficients.

--------------------------------------

Nanoscale Mobility Characterization In Organic Systems

Lakshmi Suhasini Kocherlakota, Renee Overny

Nanoscale information about the molecular mobilities and relaxation modes are critical parameters in

the molecular design of condensed organic materials. Intrinsic Friction Analysis (IFA), a spectroscopic

analysis method based on scanning force microscopy has been successfully employed by our group to

investigate intra-molecular and molecular mobilities in complex organic thin film materials like

amorphous organic non-linear optical (NLO) materials and complex organic polymeric systems.

Specifically the thermal active (α-, β-, γ-) relaxation modes in polystyrene (PS), which involve both the

enthalpic and entropic contributions are presented as a representative complex amorphous polymeric

systems. Relaxation energies deduced from self-assembling glassy chromophores are also discussed

which are relevant for understanding the interactions between self-assembling molecules in molecular

design requirements.

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Photophysics and Ambipolar Field-Effect Charge Transport in Heterojunction Thin Films of Polymer

Semiconductors

Felix Sunjoo Kim, Eilaf Ahmed, Selvam Subramaniyan, Samson A. Jenekhe

We report photophysical and ambipolar charge transport properties in thin films of polymer/polymer

heterojunction. Unique solubility of constituent polymer semiconductors in different solvents enabled

us to form layered heterojunctions by sequential spin-coating of unipolar p- and n-type polymer

semiconductors, and to make bulk heterojunctions from a blend of the polymer semiconductors.

Absorption spectra of the polymer/polymer heterojunctions are simple superposition of those of their

parent homopolymers. The thin film transistors show typical ambipolar charge transport characteristics

with clear current modulation and saturation, enabling construction of complementary circuits based on

the transistors.

--------------------------------------

Pyrite FeS2 Nanocrystals for Use in Polymer:Inorganic Hybrid Solar Cells

Beau Richardson, Qiuming Yu

Pyrite FeS2 is a promising candidate for thin film photovoltaics as it is an abundant and environmentally

benign material with low procurement costs and has a similar energy band gap and higher absorption

coefficient than silicon, which is most commonly used in solar cells. In this work, organic-inorganic

hybrid solar cells are fabricated by deploying phase pure pyrite FeS2 nanocrystals (NC’s) with diameters

of 10-20 nm as an electron acceptor material in a bulk heterojunction with poly(3-hexylthiophene)

(P3HT). Extended red light absorption is observed when combining FeS2 NC’s into the active layer.

Ligand exchange is used to replace octadecylamine with less-insulating ligands on the NC surface to

enhance the short-circuit currents (Jsc) of these devices. In addition, various parameters of the

fabrication technique are currently being optimized to improve active layer morphology.

--------------------------------------

Simulation, Design, and Characterization of Microeddy Hydrodynamic Tweezers

Tyler House, Daniel T. Schwartz

Hydrodynamic tweezers are a category of steady streaming micro-scale flows where particles can be

trapped near engineered flow obstructions. Particle trapping is set by the particle size, the obstruction

size and arrangement, and the frequency of the oscillating flow that drives steady streaming. Here we

explore the behavior of neutrally-buoyant particles using a simple model that balances Stokesian drag

with the time-averaged drift force induced by the kinematics of motion in this flow. We show a complex

behavior for the trapping force vs. shear stress, with certain frequencies showing bifurcated trapping at

either a high or low shear stress state.

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--------------------------------------

Structural and Rheological Investigation of Fully Hydrated Fibrin Gels: an In-Situ Neutron Scattering

Study of Structural Transitions under Shear Deformation

Kathleen Weigandt, Lionel Porcar, Danilo Pozzo

Fibrin is a protein that self-assembles into a bifurcating nanofibrous network forming the primary

structural component of a blood clot. Developing relationships between the mechanical and structural

properties of fibrin clots is critical to the diagnosis and treatment of various clotting conditions. Using

small angle neutron scattering (SANS) and rheological techniques we seamlessly characterize the

structural and mechanical properties of fully hydrated fibrin gels. Like many other biopolymers, fibrin

gels are highly elastic and stiffen when deformed. Though several theoretical models exist that describe

the strain-hardening of semi-flexible biopolymer gels, the origin of this phenomenon is, as of yet, not

fully understood. SANS is used to directly probe the structural properties of fibrin as the gel is deformed.

The results of this study indicate that as fibrin is strained it undergoes critical mechanical

transformations that are directly linked to the underlying structure of the gel.

--------------------------------------

Structure-Property Relationships in Conjugated Polymer Networks

Greg Newbloom, Kathleen Weigandt, Danilo Pozzo

Conjugated polymer semiconductors, such as polythiophenes (PTs), represent a novel approach towards

low-cost, easy-to-manufacture organic photovoltaic devices. Many of these polymers, such as poly(3-

hexylthiophene) (P3HT), are known to form fibrillar structures when solvent quality is reduced. At high

concentrations, P3HT will self-assemble and form semiconducting elastic networks of interconnected

fibers. The interconnectivity of these networks lead to a continuous, 3-dimensional path for charge

transport which is ideal for the bulk heterojunction structure of organic photovoltaic devices. This poster

will describe our recent systematic evaluation of these networks over multiple length scales (0.1 –

10,000 nm) using small angle neutron scattering. The complementary characterization of the mechanical

(rheology), optical and electrical properties of the organogels allows us to also formulate structure-

property relationships for this new class of materials.

--------------------------------------

Synthesis of Iron Pyrite (FeS2) Semiconducting Nanocrystals for Use in Polymer: Inorganic Hybrid Solar

Cells

John Bae, Beau Richardson, Leize Zhu, Qiuming Yu

Pyrite FeS2 is a promising candidate for thin film photovoltaics as it is an abundant and environmentally

benign material with low procurement costs and has a similar energy band gap and higher absorption

coefficient than silicon, which is most commonly used in solar cells. In this work, a hydrothermal

synthetic method with polymer is used (specifically polyvinyl alcohol and polyvinyl pyrrolidone) in order

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to produce crystals with cubic or octahedral morphology. The hot injection method is also used to

achieve spherical nanocrystals between 10-20 nm in diameter. Organic-inorganic hybrid solar cells are

fabricated by deploying these phase pure pyrite FeS2 nanocrystals (NC’s) as an electron acceptor

material in a bulk heterojunction with poly(3-hexylthiophene) (P3HT). Extended red light absorption is

observed when combining FeS2 NC’s into the active layer. Ligand exchange is used to replace insulating

molecules on the NC surface with more favorable ones to enhance the short-circuit currents (Jsc) of

these devices. In addition, various parameters of the fabrication technique are currently being

optimized to improve active layer morphology.

--------------------------------------

Toward High-Efficiency Solar Cells: Double Gyroid Devices

Robert McCarthy, Hugh W. Hillhouse

This effort aims to produce double gyroid (DG) nanowire solar cells (approximately 5 nm in diameter)

that are highly efficient due to the phenomenon of multiple exciton generation (MEG). Many DG

semiconductor films have been deposited, characterized, and made into Schottky solar cells. Only very

low photocurrents have been measured so far, and recent modeling efforts suggest that interface

recombination losses may offset the efficiency gains from MEG.

--------------------------------------

Toward High-Efficiency Solar Cells: The Double Gyroid Nanostructure

Steven Gaik, Hugh W. Hillhouse

This work addresses the low efficiency of conventional photovoltaic devices by developing a

nanostructured film that can be used to create solar cells with intrinsically higher energy conversion

efficiencies. Solar cells employing this film technology would have improved efficiencies due to the use

of unconventional device physics

--------------------------------------

Understanding the effect of Gelation Conditions on the Self-Assembly of Conjugated Polymers

Pablo DeLa Iglesia, Danilo Pozzo

Polymeric solar cells (PSCs) are a very attractive renewable energy alternative due to their low costs,

compared to silicon-based solar cells, and the possibility to mass-produce them with printing

technology. Still, a large liability for PSCs is their low efficiency to transport charges after exciton

dissociation. Polymer crystallization allows for an increase of conjugation length and more efficient

charge transport. In concentrated samples of conjugated polymers, crystallization is often manifested as

macroscopic gelation. We have recently postulated that the interconnected fiber network of these gels

could represent an ideal structure for solar cells because it combines the high charge mobility of

crystalline polymers with a continuous path for charge transport. In order to fully optimize the structure

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of these networks, it is first essential to understand the effects of temperature, concentration,

molecular weight and solvent on the crystallization of different conjugated polymers. We are using

conjugated polymers with different molecular characteristics to survey how crystallization conditions

affect the resulting fiber network structures so that we can engineer optimized networks to maximize

charge carrier mobility. For this particular study we will be using poly(9,9-dioctyl-fluorene) (PFO) to

compare its crystallization and gelation with our previous work on poly(3-hexylthiophene)(P3HT). The

differences in the gel nanostructure and on gelation time hint towards a fundamental difference in

crystal nucleation for both polymers. Identifying trends on the effects of solubility conditions on

crystallization of two very different conjugated polymers (i.e. PFO and P3HT) will allow us to relate

molecular characteristics of the polymer and gelation conditions to the resulting structure. This will

enable fundamental descriptions to be formulated that can be extended to other conjugated polymers

of interest for organic electronic applications.

--------------------------------------

Using Diblock Copolymer Approach to Improving Performance of Organic Photovoltaic Cells

Guoqiang Ren, Samson Jenekhe

The photovoltaic properties, charge transport, and morphology of a series of diblock conjugated

copolymers, poly(3-butylthiophene)-b-poly(3-octylthiophene) (P3BT-b-P3OT), were investigated as a

function of block composition. Bulk heterojunction solar cells comprising blends of P3BT-b-P3OT and

[6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) were found to have power conversion efficiencies as

high as 3.0%, which represents factors of 1.6−9 enhancements compared to those of the homopolymers

made under similar conditions. Imaging of P3BT-b-P3OT/PC71BM blends by atomic force microscopy and

transmission electron microscopy revealed interpenetrating network with 11−18 nm crystalline polymer

domains. The zero-field space charge limited current mobility of holes ((1−3) × 10−4

cm2 V

−1 s

−1) was

similarly enhanced in the diblock copolymer solar cells compared to the homopolymers. These results

demonstrate that block conjugated copolymers offer a promising approach to advanced materials for

polymer solar cells and that the block composition is an attractive means to optimize the materials.

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Acknowledgments

Thank you again to all of our guests from industry for participating and especially for assisting with

judging presentations!

Thank you to all of the graduate students who volunteered to organize and set up the Symposium, dealt

with logistics, and ensured that today was successful. The Professional Development Committee

couldn’t have done it without you!

We would also like to thank the Chemical Engineering Department Faculty and Staff for all of the

support they have given us.

Congratulations to the presentation winners! Utilize your winnings wisely!

Finally, mark your calendars for the 2012 Graduate Student Symposium, tentatively scheduled for

Monday, September 24, 2012. If you or your company would be interested in the opportunity to

support this event or any other ACES event, please contact [email protected].

Thanks for coming!