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沒北京理工大學化學與化工學院研究生導師鄭小燕介紹如下：

個人信息

特別副研究員，碩士生導師

招生專業：物理化學，材料化學，超分子化學

出生日期：1985.02.03

政治面貌：中共黨員

民族：漢族

籍貫：山西臨汾

聯系方式

郵箱：xiaoyanzheng@bit.edu.cn

工作單位：北京理工大學 化學與化工學院

辦公室：化學實驗樓 209

教育經歷

2010.09-2014.07 清華大學，化學系，物理化學專業，理學博士

師從帥志剛教授（實驗室主頁：http://shuai.chem.tsinghua.edu.cn/） 2007.09-2010.07 湘潭大學，化學與化工學院，物理化學專業，理學碩士

師從王學業教授

2003.09-2007.07 太原師范學院，化學專業，理學學士

工作經歷

2018.04 - 至今 北京理工大學，化學與化工學院，物理化學專業，特別副研究員

2014.09-2018.03 香港科技大學，化學系，博士后

合作導師：黃旭輝教授（實驗室主頁：

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

獲獎情況

1.2017 年 6 月，第十三屆全國量化會議優秀墻報獎

2.2014 年 6 月，清華大學優秀博士畢業論文

3.2013 年 10 月，清華大學杜邦獎學金

4.2012 年 5 月，湖南省優秀碩士學位論文

5.2010 年 5 月，湘潭大學第十五屆校長獎特等獎

6.2010 年 4 月，湖南省優秀畢業生

7.2010 年 4 月，湘潭大學優秀畢業生

研究方向

1.超分子組裝和解組裝機制的分子模擬研究

2.聚集誘導發光材料的發光機理、發光效率的理論研究及實驗驗證

3.有機半導體材料形貌與電荷傳輸性能關系的理論研究及實驗驗證

主要科研項目

1.國家重點基礎研究發展計劃（973 計劃），項目名稱：聚集誘導發光的基本科學問題；課題

名稱：AIE 模型和理論的建立與完善（2013CB834703）；參與，執行無定形聚集體的形貌的分子模擬和光物理性質的理論計算。

2.國家重點基礎研究發展計劃（973 計劃），項目名稱：功能導向大面積、有序納米結構可

控制備和應用基本科學問題研究；課題名稱：納米器件的關鍵科學問題研究

(2011CB932304)；參與，執行非平衡動力學分子模擬以及材料遷移率的計算。

3.國家自然科學基金，可控兩親分子自組裝的分子動力學研究（20903060），參與，執行超分子組裝和解組裝過程的分子動力學模擬。

4.國家自然科學基金創新研究群體，超分子體系的構筑、調控與功能（21121004），參與，執行超分子組裝和解組裝過程的分子動力學模擬。

發表論文

Scopus主頁: 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作為亮點評述，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