没北京理工大学化学与化工学院研究生导师郑小燕介绍如下：

个人信息

特别副研究员，硕士生导师

招生专业：物理化学，材料化学，超分子化学

出生日期：1985.02.03

政治面貌：中共产党员

民族：汉族

籍贯：山西临汾

联系方式

电话：13522161283

邮箱：xiaoyanzheng@bit.edu.cn

工作单位：北京理工大学 化学与化工学院

办公室：化学实验楼 209

教育经历

2010.09-2014.07清华大学，化学系，物理化学专业，理学博士

师从帅志刚教授（实验室主页：http://shuai.chem.tsinghua.edu.cn/） 2007.09-2010.07 湘潭大学，化学与化工学院，物理化学专业，理学硕士

师从王学业教授

2003.09-2007.07太原师范学院，化学专业，理学学士

工作经历

2018.04 - 至今北京理工大学，化学与化工学院，物理化学专业，特别副研究员

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（实验室主页：

http://compbio.ust.hk/public_html/pmwiki-2.2.8/pmwiki.php?n=People.XuhuiHuang）

获奖情况

1.2017 年 6 月，第十三届全国量化会议优秀墙报奖

2.2014 年 6 月，清华大学优秀博士毕业论文

3.2013 年 10 月，清华大学杜邦奖学金

4.2012 年 5 月，湖南省优秀硕士学位论文

5.2010 年 5 月，湘潭大学第十五届校长奖特等奖

6.2010 年 4 月，湖南省优秀毕业生

7.2010 年 4 月，湘潭大学优秀毕业生

研究方向

1.超分子组装和解组装机制的分子模拟研究

2.聚集诱导发光材料的发光机理、发光效率的理论研究及实验验证

3.有机半导体材料形貌与电荷传输性能关系的理论研究及实验验证

主要科研项目

1.国家重点基础研究发展计划（973 计划），项目名称：聚集诱导发光的基本科学问题；课题

名称：AIE 模型和理论的建立与完善（2013CB834703）；参与，执行无定形聚集体的形貌的分子模拟和光物理性质的理论计算。

2.国家重点基础研究发展计划（973 计划），项目名称：功能导向大面积、有序纳米结构可

控制备和应用基本科学问题研究；课题名称：纳米器件的关键科学问题研究

(2011CB932304)；参与，执行非平衡动力学分子模拟以及材料迁移率的计算。

3.国家自然科学基金，可控两亲分子自组装的分子动力学研究（20903060），参与，执行超分子组装和解组装过程的分子动力学模拟。

4.国家自然科学基金创新研究群体，超分子体系的构筑、调控与功能（21121004），参与，执行超分子组装和解组装过程的分子动力学模拟。

发表论文

Scopus主页: https://www.scopus.com/authid/detail.uri?authorId=35110207600

第一作者文章：

1.Xiaoyan Zheng, Hua Geng, Yuanping Yi, Qikai Li, Yuqian Jiang, Dong Wang*, Zhigang Shuai*. Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study. Adv. Funct. Mater. 2014, 24, 5531-5540 (Top期刊，IF: 12.124，封面文章, Frontispiece)

2.Xiaoyan Zheng, Qian Peng*, Lizhe Zhu, Yujun Xie, Xuhui Huang*, Zhigang Shuai*. Unraveling the Aggregation Effect on Amorphous Phase AIE Luminogens: A Computational Study. Nanoscale 2016, 8, 15173-15180 (Top期刊，IF: 7.367, 封面文章, Inside Front Cover)

3.Xiaoyan Zheng, Lizhe Zhu, Xiangze Zeng, Luming Meng, Lu Zhang, Dong Wang, Xuhui Huang*. Kinetics-Controlled Amphiphile Self-Assembly Processes. J. Phys. Chem. Lett. 2017, 8, 1798-1803 (Top期刊，IF: 9.353)

4.Xiaoyan Zheng, Dong Wang*, Zhigang Shuai*, Xi 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

5.Xiaoyan Zheng, Dong Wang*, Zhigang Shuai*. Coarse-grained Molecular Dynamics Simulations of Photoswitchable Assembly and Disassembly. Nanoscale 2013, 5, 3681-3689 (Top期刊，IF: 7.367)

6.Xiaoyan Zheng, Zhigang Shuai*, Dong 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, 3844-3851

7.Xiaoyan Zheng, Xueye Wang*, Keqi Shen, Yuan Miao, Dan, 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

8.Xiaoyan Zheng, Xueye Wang*, Keqi Shen, Nuanqing Wang, Yueming 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

9.Xiaoyan Zheng, Xueye Wang*, Shanfeng Yi, Nuanqing Wang, Yueming 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

10.Xiaoyan Zheng, Xueye Wang*, Shanfeng Yi, Nuanqing Wang, Yueming 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

11.Xiaoyan Zheng, Xueye Wang*, Shanfeng Yi, Nuanqing Wang, Yueming 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

12.Kai Liu‖, Xiaoyan Zheng‖, Ashok Z. Samuel, S. G. Ramkumar, Suhrit Ghosh, Xinxin Tan, Dong Wang, Zhigang Shuai, S. Ramakrishnan, Dongsheng Liu, Xi Zhang*. Stretching Single Polymer Chains of Donor-Acceptor Foldamers: Towards the Quantitative Study on the Extent of Folding. Langmiur 2013, 29, 14438-14443 (‖ equal contribution)

13.Shan Feng‖, Xiaoyan Zheng‖, Dong Wang, Yiyi Gong, Qingtao Wang, Haiteng Deng*. Systematic Analysis of Reactivities and Fragmentation of Glutathione and Its Isomer GluCysGly. J. Phys. Chem. A 2014, 118, 8222-8228 (‖ equal contribution)

合作文章：

14. Xinggui Gu, Xiaoyan Zhang, Huili Ma, Shaorui Jia, Pengfei Zhang, Yanjun Zhao, Qian Liu,Jianguo Wang, Xiaoyan Zheng, Jacky W. Y. Lam, Dan Ding,* and Ben Zhong Tang*. Corannulene-Incorporated AIE Nanodots with Highly Suppressed Nonradiative Decay for Boosted Cancer Phototheranostics In Vivo. Adv. Mater. 2018, 1801065 (Top期刊，IF: 19.791)

15.Xiangze Zeng, Zhanwei Li, Xiaoyan Zheng, Lizhe Zhu, Zhao-Yan Sun, Zhong-Yuan Lu and Xuhui Huang. Improving the Productivity of Monodisperse Polyhedral Cages by Rational Design of Kinetic Self-assembly Pathways. Phys. Chem. Chem. Phys. 2018, 20, 10030-10037.

16.Xiangze Zeng, Lizhe Zhu, Xiaoyan Zheng, Marco Cecchini, Xuhui Huang. Harnessing Complexity in Molecular Self-Assembly by Computer Simulations. Phys. Chem. Chem. Phys. 2018, 20, 6767-6776.

17.Zheng Zhao, Simin Gao, Xiaoyan Zheng, Pengfei Zhang, Wenting Wu, Ryan T. K. Kwok, Yu Xiong, Nelson L. C. Leung, Yuncong Chen, Xike Gao, Jacky W. Y. Lam, Benzhong 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: 12.12)

18.Meijuan Jiang, Xinggui Gu, Ryan T. K. Kwok, Ying Li, Herman H. Y. Sung, Xiaoyan Zheng, Yilin Zhang, Jacky W. Y. Lam, Lan D. Williams, Xuhui Huang, Kam Sing Wong, Ben Zhong Tang. Multifunctional AIEgens: Ready Synthesis, Tunable Emission, Mechanochromism, Mitochondrial, and Bacterial Imaging. Adv. Funct. Mater. 2018, 28, 1704589-1704599 (Top期刊，IF: 12.12)

19.Haitao Feng, Xiaoyan Zheng, Xinggui Gu, Ming Chen, Jacky W. Y. Lam, Xuhui Huang, Ben Zhong 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: 9.466)

20.Aihui Liang*, Han Wang, Yi Chen, Xiaoyan Zheng, Tian Cao, Xiulan Yang, Ping Cai*, Zhiping Wang, Xiaowen Zhang, Fei Huang*. Benzoselenadiazole-based donor-acceptor small molecule: Synthesis, aggregation-induced emission and electroluminescence. Dyes Pigm. 2018, 149, 399-406.

21.Jianguo Wang, Xinggui Gu, Pengfei Zhang, Xiaobo Huang, Xiaoyan Zheng, Ming Chen, Haitao Feng, Ryan T. K. Kwok, Jacky W. Y. Lam, and BenZhong 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: 13.858)

22.Haoke Zhang, Xiaoyan Zheng, Ni Xie, Zikai He, Junkai Liu, Nelson L. C. Leung, Yinlin Niu, Xuhui Huang, Kam Sing Wong, Ryan T. K. Kwok, Herman H. Y. Sung, Ian D. Williams, Anjun Qin, Jacky W. Y. Lam, Ben Zhong 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: 13.858).

23.Yanhua Cheng, Jianguo Wang, Zijie Qiu, Xiaoyan Zheng, Nelson L. C. Leung, Jacky W. Y. Lam and Ben Zhong Tang*. Multiscale Humidity Visualization by Environmental Sensitive Fluorescent Molecular Rotors. Adv. Mater. 2017, 1703900-1703906 (Top期刊，IF: 19.791)

24.Huiqing, Peng, Xiaoyan Zheng, Ting Han, Ryan T. K. Kwok, Jacky W. Y. Lam, Xuhui Huang, Ben Zhong 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: 13.858)

25.Yu Xiong, Bo Wu, Xiaoyan Zheng, Zheng Zhao, Ping Deng, Xuhui Huang, Ming Lin, Ben Zhong Tang, Beng S. Ong*. Novel Dimethylmethylene-bridged Triphenylamine-PDI Acceptor for Bulk-heterojunction Organic Solar Cells. Adv. Sci. 2017, 1700110-1700115 (Top期刊，IF: 9.034)

26.Liguo Jiang, Siqin Cao, Peter Pak-Hang Cheung, Xiaoyan Zheng, Chris Wai Tung Leung, Qian Peng, Zhigang Shuai, Ben Zhong Tang, Shuhuai Yao*, Xuhui 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: 12.124)

27.Qiushi Zhang, Xiaoyan Zheng, Guowen Kuang, Weihua Wang, Rui Pang, Xingqiang Shi, Xuesong Shang, Xuhui Huang, Pei Nian Liu*, Nian Lin*. Single-Molecule Investigations of Conformation

Adaptation of Porphyrins on Surfaces. J. Phys. Chem. Lett. 2017, 8, 1241-1247 (Top期刊，IF: 9.353)

28.Chao Chen, Zhegang Song, Xiaoyan Zheng, Zikai He, Bin Liu*, Xuhui Huang, Deling Kong, Dan Ding* and Ben Zhong 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: 8.668)

29.Yuncong Chen, Weijie Zhang, Yuanjing Cai, Ryan T. K. Kwok, Yubing Hu, Jacky Wing Yip Lam, Xinggui Gu, Zikai He, Zheng Zhao, Xiaoyan Zheng, Bin Chen, Chen Gui, Ben Zhong 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: 8.668)

30.Yajing Liu, Jacky W. Y. Lam, Xiaoyan Zheng, Qian Peng, Ryan T. K. Kwok, Herman H. Y. Sung, Ian D. Williams, Ben Zhong 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: 5.835)

31.Jian Zheng, Lin Wang*, Xiangze Zeng, Xiaoyan Zheng, Yan Zhang, Sa Liu, Xuetao Shi, Ying- Jun Wang, Xuhui Huang*, Li 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: 7.504)

32.Aihui Liang*, Gui Huang, Sheng Dong, Xiaoyan Zheng, Jia Zhu, Zhiping wang, Wenjin Wu, Jie Zhang, Fei 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: 5.256)

33.Hongkong Li, Xiaoyan Zheng, Huimin Su, Jacky W. Y. Lam, Kam Sing Wong, Xuhui Huang, Bingshi Li*, Ben Zhong Tang*. Synthesis, Optical Properties, and Helical Self-Assembly of a Bivaline-Containing Tetraphenylethene. Sci. Rep. 2016, 6, 19277-19285

34.Hua Geng, Xiaoyan Zheng, Zhigang Shuai*, Lingyun Zhu, Yuanping 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: 19.791)

35.Yunke Qin, Jing Zhang, Xiaoyan Zheng, Hua Geng, Guangyao Zhao, Wei Xu*, Wenping Hu, Zhigang Shuai*, Daoben 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. Mater. 2014, 26, 4093-4099 (Top期刊，IF: 19.791)

36.Yuqian Jiang, Hua Geng, Wen Shi, Qian Peng, Xiaoyan Zheng, Zhigang Shuai*. Theoretical Prediction of Isotope Effects on Charge Transport in Organic Semiconductors. J. Phys. Chem. Lett. 2014, 5, 2267-2273 (Top期刊，IF: 9.353)

37.Jianhong Zhang, Xiaoyan Zheng, Runsheng Jiang, Yanwen Yu, Yongjun Li*, Huibiao Li, Qikai Li, Zhigang Shuai, Yuliang Li*. A “Clicked” Porphyrin Cage with High Binding Affinity towards Fullerenes. RSC Adv. 2014, 4, 27389-27392

38.Ping Shen*, Yuhua Tang, Shenghui Jiang, Huajie Chen, Xiaoyan Zheng, Xueye Wang, Bin Zhao, Songting Tan*. Efficient Triphenylamine-based Dyes Featuring Dual-role Carbazole, Fluorene and Spirobifluorene Moieties. Org. Electronics 2011, 12, 125-135

39.Menjun Zhu, Fei Ge*, Runliang Zhu, Xueye Wang, Xiaoyan Zheng. A DFT-based QSAR Study of the Toxicity of Quaternary Ammonium Compounds on Chlorella Vulgaris. Chemosphere 2010, 80, 46-52

40.Huajie Chen, Hui Huang, Xianwei Huang, John N Clifrord, AmparoForneli, Emilio Palomares, Xiaoyan Zheng, Liping Zheng, Xiaoyou Wang, Ping Shen, Bin Zhao, Songting Tan*. High Molar Extinction Coefficient Branchlike Organic Dyes Containing Di(p-tolyl)phenylamine Donor for Dye-Sensitized Solar Cells Applications. J. Phys. Chem. C 2010, 114, 3280-3286