Embed Size (px)
Citation preview
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
1
郑小燕 副研究员，硕士生导师
专业：理论与计算化学，物理化学，材料化学，超分子化学
单位：北京理工大学，化学与化工学院
办公室：生态楼 632
ORCID: http://orcid.org/0000-0002-6584-9596
ResearchGate: https://www.researchgate.net/profile/Xiaoyan_Zheng2
Scopus: https://www.scopus.com/authid/detail.uri?authorId=35110207600
教育和工作经历
2018/04 – 至今 北京理工大学，化学与化工学院，物理化学，特别副研究员
2010/09 – 2014/07 清华大学，化学系，博士（导师：帅志刚教授）
2014/09 – 2018/03 香港科技大学，化学系，博士后（合作导师：黄旭辉教授）
荣誉奖励
2014/06 清华大学优秀博士学位论文
2013/10 清华大学杜邦奖学金
2012/05 湖南省优秀硕士学位论文
2010/05 湘潭大学第十五届校长奖特等奖
2010/04 湖南省优秀毕业生，湘潭大学优秀毕业生
研究方向
超分子组装和解组装机制的多尺度理论研究
聚集诱导发光材料的发光机理、发光效率的理论预测及实验验证
有机半导体材料形貌与电荷传输性能关系的理论预测及实验验证
科研项目
北京理工大学青年教师学术启动计划项目，40 万，主持 2018/04-2021/04
国家自然科学基金青年项目，26 万，主持 2019/01-2021/12，
学术服务
担任 ACS Nano, J. Mater. Chem. A, Chem. Asian J., Acta Chimica Sinica (化学学报), Spectrochimica Acta Part A:
Mol. Biomol. Spectroscopy 等期刊审稿人。
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
2
研究成果
在 Angew. Chem. Int. Ed.，Nat. Commun., Adv. Funct. Mater.，Mater. Horiz., ACS Appl. Mater. Interfaces,
J. Phys. Chem. Lett., Nanoscale 等发表学术论文 52 篇，第一/通讯作者文章 22 篇，H-index = 20。
发表论文
2020
1. B. C. Lu, X. Y. Zheng*, Z. S. Li*. A Promising Photocatalyst of Water Splitting Reaction with Stable
Sandwiched P4O2/Black Phosphorus Heterostructure and High Solar-to-Hydrogen Efficiency. Nanoscale
2020, DOI: 10.1039/C9NR09942E. (Top期刊，IF: 6.970)
Link
2019
2. Z. S. Yao*, H. X. Guan, Y. Shiota, C. T. He, X. L. Wang, S. Q. Wu, X. Y. Zheng, S. Q. Su, K. Yoshizawa,
X. Q. Kong, O. Sato*, and J. Tao*. Giant anisotropic thermal expansion actuated by thermodynamically
assisted reorientation of imidazoliums in a single crystal. Nat. Commun. 2019, 10, 4805. (Top期刊，IF:
11.878)
3. X. Y. Zheng*, D. Wang*, W. H. Xu, S. Q. Cao, Q. Peng*, B. Z. Tang*. Charge Control of Fluorescent
Probes to Selectively Target Cell Membrane or Mitochondria: Theoretical Prediction and Experimental
Validation. Mater. Horiz. 2019, 6, 2016-2023 (Top期刊，IF: 14.356，封面文章，Back Cover)
Link
4. Z. Zhao#, X. Y. Zheng# (co-first author), L. L. Du‖, Y. Xiong, W. He, X. X. Gao, C. L. Li, Y. J. Liu, B. Xu,
J. Zhang, F. Y. Song, Y. Yu, X. Q. Zhao, Y. J. Cai, X. W. He, R. T. K. Kwok, J. W. Y. Lam, X. H. Huang, D.
Phillips*, H. Wang* and B. Z. Tang*. Non-aromatic annulene-based aggregation-induced emission system
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
3
via aromaticity reversal process. Nat. Commun. 2019, 10, 2952. (Top期刊，IF: 11.878)
Link
5. N. Zhao,* W. W. Gao, M. Zhang, J. F. Yang, X. Y. Zheng*, Y. Li, R. R. Cui, W. Yin, N. Li. Regulation of
Circular Dichroism Behavior and Construction of Tunable Solid-State Circularly Polarized Luminescence
Based on BINOL Derivatives. Mater. Chem. Front. 2019, 3(8), 1613-1618.
Link
6. L. Wang, J. J. Chen, X. Z. Zeng, P. P. H. Cheung, X. Y. Zheng, L. X. Xie, X. T. Shi, L. Ren,* X. H. Huang,*
and Y. J. Wang*. Mechanistic Insights and Rational Design of a Versatile Surface with Cells/Bacteria
Recognition Capability via Orientated Fusion Peptides. Adv. Sci. 2019, 1801827. (Top期刊，IF:15.804)
7. D. Wang,* M. M. S. Lee, W. H. Xu, G. G. Shan, X. Y. Zheng*, R. T. K. Kwok, J. W. Y. Lam, X. L. Hu,* B.
Z. Tang.* Boosting Non-Radiative Decay to Do Useful Work: Development of Multi-Modality Theranostic
System from AIEgen. Angew. Chem. Int. Ed. 2019, 58 (17), 5628-5632. (Top期刊，IF: 12.257)
Link
8. B. C. Lu, X. Y. Zheng* and Z. S. Li*. Few-layer P4O2: A Promising Photocatalyst for Water Splitting. ACS
Appl. Mater. Interfaces. 2019, 11(10), 10163–10170 (Top期刊，IF: 8.456).
Link
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
4
9. Y. X. Lei, W. B. Dai, Z. Q. Liu, S. Guo, Z. X. Cai*, J. B. Shi, X. Y. Zheng*, J. G. Zhi, B. Tong, Y. P. Dong*.
A Novel Strategy for Realizing Dual State Fluorescence and Low-Temperature Phosphorescence. Mater.
Chem. Front. 2019, 3(2), 284-291.
Link
2018
10. H. K. Zhang#, X. Y. Zheng# (co-first author), R. T. K. Kwok, J. Wang, N. L. C. Leung, L. Shi, J. Z. Sun,
Z. Y. Tang, J. W. Y. Lam, A. J. Qin*, B. Z. Tang*. In situ monitoring of molecular aggregation using circular
dichroism. Nat. Commun. 2018, 9(1), 4961 (Top期刊，IF: 11.878).
Link
11. J. G. Wang, X. G. Gu*, H. L. Ma, Q. Peng, X. B. Huang, X. Y. Zheng, S. H. P. Sung, G. G. Shan, J. W. Y.
Lam, Z. G. Shuai, B. Z. Tang*. A Facile Strategy for Realizing Room Temperature Phosphorescence and
Single Molecule White Light Emission. Nat. Commun. 2018, 9(1), 2963 (Top期刊，IF: 11.878)
12. A. H. Liang*, M. Luo, Y. S. Liu, H. Wang, Z. P. Wang, X. Y. Zheng*, T. Cao, D. W. Liu, Y. Zhang*, F.
Huang*. Novel Yellow Phosphorescent Iridium Complexes with Dibenzothiophene-S,S-Dioxide-Based
Cyclometalated Ligand for White Polymer Light-Emitting Diodes. Dyes Pigm. 2018, 159, 637-645.
13. X. G. Gu, X. Y. Zhang, H. L. Ma, S. R. Jia, P. F. Zhang, Y. J. Zhao, Q. Liu, J. G. Wang, X. Y. Zheng, J. W.
Y. Lam, D. Ding,* and B. Z. Tang*. Corannulene-Incorporated AIE Nanodots with Highly Suppressed
Nonradiative Decay for Boosted Cancer Phototheranostics In Vivo. Adv. Mater. 2018, 1801065 (Top期刊，
IF: 25.809)
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
5
14. X. Z. Zeng, Z. W. Li, X. Y. Zheng, L. Z. Zhu, Z. Y. Sun, Z. Y. Lu and X. H. Huang. Improving the Productivity
of Monodisperse Polyhedral Cages by Rational Design of Kinetic Self-assembly Pathways. Phys. Chem. Chem.
Phys. 2018, 20, 10030-10037 (Top期刊).
Link
15. X. Z. Zeng, L. Z. Zhu, X. Y. Zheng, M. Cecchini, X. H. Huang. Harnessing Complexity in Molecular Self-
Assembly by Computer Simulations. Phys. Chem. Chem. Phys. 2018, 20, 6767-6776 (Top期刊).
16. Z. Zhao, S. Gao, X. Y. Zheng, P. F. Zhang, W. T. Wu, R. T. K. Kwok, Y. Xiong, N. L. C. Leung, Y. C. Chen,
X. K. Gao, J. W. Y. Lam, B. Z. Tang. Rational Design of Perylenediimide-Substituted Triphenylethylene to
Electron Transporting Aggregation-Induced Emission Luminogens (AIEgens) with High Mobility and near-
Infrared Emission. Adv. Funct. Mater. 2018, 1705609-1705617 (Top期刊，IF: 15.621)
17. A. H. Liang*, H. Wang, Y. Chen, X. Y. Zheng, T. Cao, X. L. Yang, P. Cai*, Z. P. Wang, X. W. Zhang, F.
Huang*. Benzoselenadiazole-based donor-acceptor small molecule: Synthesis, aggregation-induced
emission and electroluminescence. Dyes Pigm. 2018, 149, 399-406.
2017
18. X. Y. Zheng, L. Z. Zhu, X. Z. Zeng, L. M. Meng, L. Zhang, D. Wang, X. H. Huang*. Kinetics-Controlled
Amphiphile Self-Assembly Processes. J. Phys. Chem. Lett. 2017, 8, 1798-1803 (Top期刊，IF: 7.329)
Link
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
6
19. H. T. Feng, X. Y. Zheng, X. G. Gu, M. Chen, J. W. Y. Lam, X. H. Huang, B. Z. Tang*. White-Light Emission
of a Binary Light-Harvesting Platform Based on an Amphiphilic Organic Cage. Chem. Mater. 2017, 30(4),
1285-1290 (Top期刊，IF: 10.159)
Link
20. M. J. Jiang, X. G. Gu, R. T. K. Kwok, Y. Li, H. H. Y. Sung, X. Y. Zheng, Y. L. Zhang, J. W. Y. Lam, L. D.
Williams, X. H. Huang, K. S. Wong, B. Z. Tang. Multifunctional AIEgens: Ready Synthesis, Tunable
Emission, Mechanochromism, Mitochondrial, and Bacterial Imaging. Adv. Funct. Mater. 2017, 1704589-
1704599 (Top期刊，IF: 15.621)
21. J. G. Wang, X. G. Gu, P. F. Zhang, X. B. Huang, X. Y. Zheng, M. Chen, H. T. Feng, R. T. K. Kwok, J. W.
Y. Lam, and B. Z. Tang. Ionization and Anion-π+ Interaction: A New Strategy for Structural Design of
Aggregation-Induced Emission Luminogens. J. Am. Chem. Soc. 2017, 139, 16974–16979 (Top期刊，IF:
14.695)
22. H. K. Zhang, X. Y. Zheng, N. Xie, Z. K. He, J. K. Liu, N. L. C. Leung, Y. L. Niu, X. H. Huang, K. S. Wong,
R. T. K. Kwok, H. H. Y. Sung, I. D. Williams, A. J. Qin, J. W. Y. Lam, B. Z. Tang*. Why Do Simple
Molecules with “Isolated” Phenyl Rings Emit Visible Light? J. Am. Chem. Soc. 2017, 139, 16264-16272
(被Nature Reviews Chemistry作为亮点评述，Top期刊，IF: 14.695).
Link
23. Y. H. Cheng, J. G. Wang, Z. J. Qiu, X. Y. Zheng, N. L. C. Leung, J. W. Y. Lam and B. Z. Tang*. Multiscale
Humidity Visualization by Environmental Sensitive Fluorescent Molecular Rotors. Adv. Mater. 2017,
1703900-1703906 (Top期刊，IF: 25.809)
24. H. Q. Peng, X. Y. Zheng, T. Han, R. T. K. Kwok, J. W. Y. Lam, X. H. Huang, B. Z. Tang*. Dramatic
Differences in Aggregation-Induced Emission and Supramolecular Polymerizability of Tetraphenylethene-
Based Stereoisomers. J. Am. Chem. Soc. 2017, 139, 10150-10156 (Top期刊，IF: 14.695)
Link
25. Y. Xiong, B. Wu, X. Y. Zheng, Z. Zhao, P. Deng, X. H. Huang, M. Lin, B. Z. Tang, B, S. Ong*. Novel
Dimethylmethylene-bridged Triphenylamine-PDI Acceptor for Bulk-heterojunction Organic Solar Cells.
Adv. Sci. 2017, 1700110-1700115 (Top期刊，IF: 15.804)
26. L. G. Jiang, S. Q. Cao, P. P. H. Cheung, X. Y. Zheng, C. W. T. Leung, Q. Peng, Z. G. Shuai, B. Z. Tang, S.
H. Yao*, X. H. Huang*. Real-Time Monitoring of Hydrophobic Aggregation Reveals a Critical Role of
Cooperativity in Hydrophobic Effect. Nat. Commun. 2017, 8, 15639-15646 (Top期刊，IF: 11.878)
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
7
27. Q. S. Zhang, X. Y. Zheng, G. W. Kuang, W. H. Wang, R. Pang, X. Q. Shi, X. S. Shang, X. H. Huang, P. N.
Liu*, N. Lin*. Single-Molecule Investigations of Conformation Adaptation of Porphyrins on Surfaces. J.
Phys. Chem. Lett. 2017, 8, 1241-1247 (Top期刊，IF: 7.329)
Link
28. C. Chen, Z. G. Song, X. Y. Zheng, Z. K. He, B. Liu*, X. H. Huang, D. L. Kong, D. Ding* and B. Z. Tang*.
AIEgen-Based Theranostic System: Targeted Imaging of Cancer Cells and Adjuvant Amplification of
Antitumor Efficacy of Paclitaxel. Chem. Sci. 2017, 8, 2191-2198 (Top期刊，IF: 9.556)
29. Y. C. Chen, W. J. Zhang, Y. J. Cai, R. T. K. Kwok, Y. B. Hu, J. W. Y. Lam, X. G. Gu, Z. K. He, Z. Zhao, X.
Y. Zheng, B. Chen, C. Gui, B. Z. Tang*. AIEgens for Dark Through-Bond Energy Transfer: Design,
Synthesis, Theoretical Study and its Application in Ratiometric Hg2+ Sensing. Chem. Sci. 2017, 8, 2047-
2055 (Top期刊，IF: 9.556)
2016
30. X. Y. Zheng, Q. Peng*, L. Z. Zhu, Y. J. Xie, X. H. Huang*, Z. G. Shuai*. Unraveling the Aggregation
Effect on Amorphous Phase AIE Luminogens: A Computational Study. Nanoscale 2016, 8, 15173-15180
(Top期刊，IF: 6.970, 封面文章, Inside Front Cover)
Link
31. Y. J. Liu, J. W. Y. Lam, X. Y. Zheng, Q. Peng, R. T. K. Kwok, H. H. Y. Sung, I. D. Williams, B. Z. Tang*.
Aggregation-Induced Emission and Photocyclization of Poly(hexaphenyl-1,3-butadiene)s Synthesized from
“1+2” Polycoupling of Internal Alkynes and Arylboronic Acids. Macromolecules 2016, 49, 5817-5830 (Top
期刊，IF: 5.997)
32. J. Zheng, L. Wang*, X. Z. Zeng, X. Y. Zheng, Y. Zhang, S. Liu, X. T. Shi, Y. J. Wang, X. H. Huang*, L.
Ren*. Controlling the Integration of Polyvinylpyrrolidone onto Substrate by Quartz Crystal Microbalance
with Dissipation to Achieve Excellent Protein Resistance and Detoxification. ACS Appl. Mater. Interfaces
2016, 8, 18684–18692 (Top期刊，IF: 8.456)
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
8
33. A. H. Liang*, G. Huang, S. Dong, X. Y. Zheng, J. Zhu, Z. P. Wang, W. J. Wu, J. Zhang, F. Huang*. Novel
Iridium Complexes as Yellow Phosphorescent Emitters for Single-Layer Yellow and White Polymer Light-
Emitting Diodes. J. Mater. Chem. C 2016, 4, 6626-6633 (Top期刊，IF: 6.641)
34. H. K. Li, X. Y. Zheng, H. M. Su, J. W. Y. Lam, K. S. Wong, X. H. Huang, B. S. Li*, B. Z. Tang*. Synthesis,
Optical Properties, and Helical Self-Assembly of a Bivaline-Containing Tetraphenylethene. Sci. Rep. 2016,
6, 19277-19285.
2015
35. H. Geng, X. Y. Zheng, Z. G. Shuai*, L. Y. Zhu, Y. P. Yi*. Understanding the Charge Transport and Polarities
in Organic Donor-Acceptor Mixed-Stack Crystals: Molecular Insights from the Super-Exchange Couplings.
Adv. Mater. 2015, 27, 1443-1449 (Top期刊，IF: 25.809)
Link
2014
36. X. Y. Zheng, H. Geng, Y. P. Yi, Q. K. Li, Y. Q. Jiang, D. Wang*, Z. G. Shuai*. Understanding Lattice
Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study. Adv. Funct.
Mater. 2014, 24, 5531-5540 (Top期刊，IF: 15.621，封面文章, Frontispiece)
Link
37. S. Feng#, X. Y. Zheng# (co-first author), D. Wang, Y. Y. Gong, Q. T. Wang, H. T. Deng*. Systematic
Analysis of Reactivities and Fragmentation of Glutathione and Its Isomer GluCysGly. J. Phys. Chem. A
2014, 118, 8222-8228.
38. Y. K. Qin, J. Zhang, X. Y. Zheng, H. Geng, G. Y. Zhao, W. Xu*, W. P. Hu, Z. G. Shuai*, D. B. Zhu*.
Charge-Transfer Complex Crystal Based on Extended-π-Conjugated Acceptor and Sulfur-Bridged
Annulene: Charge-Transfer Interaction and Remarkable High Ambipolar Transport Characteristics. Adv.
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
9
Mater. 2014, 26, 4093-4099 (Top期刊，IF: 25.809)
39. Y. Q. Jiang, H. Geng, W. Shi, Q. Peng, X. Y. Zheng, Z. G. Shuai*. Theoretical Prediction of Isotope Effects
on Charge Transport in Organic Semiconductors. J. Phys. Chem. Lett. 2014, 5, 2267-2273 (Top期刊，IF:
7.329)
40. J. H. Zhang, X. Y. Zheng, R. S. Jiang, Y. W. Yu, Y. J. Li*, H. B. Li, Q. K. Li, Z. G. Shuai, Y. L. Li*. A
“Clicked” Porphyrin Cage with High Binding Affinity towards Fullerenes. RSC Adv. 2014, 4, 27389-27392.
2013
41. X. Y. Zheng, D. Wang*, Z. G. Shuai*. Coarse-grained Molecular Dynamics Simulations of
Photoswitchable Assembly and Disassembly. Nanoscale 2013, 5, 3681-3689 (Top期刊，IF: 6.970)
Link
42. X. Y. Zheng, Z. G. Shuai*, D. Wang*. Anion-Binding Properties of π-Electron Deficient Cavities in
Bis(tetraoxacalix[2]arene[2]triazine): A Theoretical Study. J. Phys. Chem. A 2013, 117, 3844-385.
Link
43. K. Liu#, X. Y. Zheng# (co-first author), A. Z. Samuel, S. G. Ramkumar, S. Ghosh, X. X. Tan, D. Wang, Z.
G. Shuai, S. Ramakrishnan, D. S. Liu, X. Zhang*. Stretching Single Polymer Chains of Donor-Acceptor
Foldamers: Towards the Quantitative Study on the Extent of Folding. Langmuir 2013, 29, 14438-14443.
Link
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
10
2012
44. X. Y. Zheng, D. Wang*, Z. G. Shuai, X. Zhang. Molecular Dynamics Simulations of the Supramolecular
Assembly between an Azobenzene-Containing Surfactant and α-Cyclodextrin: Role of Photoisomerization.
J. Phys. Chem. B 2012, 116, 823-832.
Link
2011
45. X. Y. Zheng, X. Y. Wang*, K. Q. Shen, Y. Miao, D., Ouyang. Density Functional Theory Study of Potassium
Complexation of an Unsymmetrical 1,3-alternate Calix[4]-crown-5-N-azacrown-5 Bearing Two Different
Crown Rings. J. Mol. Model. 2011, 17, 2659-2668.
46. P. Shen*, Y. H. Tang, S. H. Jiang, H. J. Chen, X. Y. Zheng, X. Y. Wang, B. Zhao, S. T. Tan*. Efficient
Triphenylamine-based Dyes Featuring Dual-role Carbazole, Fluorene and Spirobifluorene Moieties. Org.
Electronics 2011, 12, 125-135.
2010
47. X. Y. Zheng, X. Y. Wang*, K. Q. Shen, N. Q. Wang, Y. M. Peng. Molecular Design of a “Molecular Syringe”
Mimic for Metal Cations using a 1,3-alternate Calix[4]arene Cavity. J. Comput. Chem. 2010, 31, 2143-
2156.
48. X. Y. Zheng, X. Y. Wang*, S. F. Yi, N. Q. Wang, Y. M. Peng. Density Functional Theory Study of 1,3-
alternate-25,27-bis(1-methoxyethyl) -calix[4]arene-N-azacrown-5 and Their Complexes with Alkali Metal
Cations: Na+, K+, Rb+. J. Comput. Chem. 2010, 31, 1458-1468.
49. X. Y. Zheng, X. Y. Wang*, S. F. Yi, N. Q. Wang, Y. M. Peng. Density Functional Theory Study of the Free
and Tetraprotonated Spheroidal Macrotricyclic Ligands and the Complexes with Halide Anions: F–, Cl–, Br–.
J. Comput. Chem. 2010, 31, 871-881.
50. M. J. Zhu, F. Ge*, R. L. Zhu, X. Y. Wang, X. Y. Zheng. A DFT-based QSAR Study of the Toxicity of
Quaternary Ammonium Compounds on Chlorella Vulgaris. Chemosphere 2010, 80, 46-52.
51. H. J. Chen, H. Huang, X. W. Huang, J. N Clifford, A. Forneli, E. Palomares, X. Y. Zheng, L. P. Zheng, X.
Y. Wang, P. Shen, B. Zhao, S. T. Tan*. High Molar Extinction Coefficient Branchlike Organic Dyes
Containing Di(p-tolyl)phenylamine Donor for Dye-Sensitized Solar Cells Applications. J. Phys. Chem. C
Xiaoyan Zheng, Beijing Institute of Technology, 2020/02
11
2010, 114, 3280-3286.
2009
52. X. Y. Zheng, X. Y. Wang*, S. F. Yi, N. Q. Wang, Y. M. Peng. DFT Study of the Carbon- and Nitrogen-Pivot
Lariat Crown Ethers and Their Complexes with Alkali Metal Cations: Na+, K+. J. Comput. Chem. 2009, 30,
2674-2683.
