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
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
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)
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
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