郑小燕

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)

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2019

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,

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)

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)

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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

via aromaticity reversal process. Nat. Commun. 2019, 10, 2952. (Top期刊，IF: 11.878)

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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.

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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, **. (Top 期 刊 ，IF:15.804)

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)

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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).

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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.

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2018

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).

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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)

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.

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, ** (Top 期 刊 ， IF: 25.809)

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).

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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).

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,

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, **-** (Top期刊，IF: 15.621)

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

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)

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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)

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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, **- ** (Top 期 刊 ，IF: 15.621)

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)

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).

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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, **-** (Top 期 刊 ，IF: 25.809)

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)

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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, **-** (Top 期 刊 ，IF: 15.804)

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)

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)

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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)

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

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)

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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)

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)

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)

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

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)

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2014

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)

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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.

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.

Mater. 2014, 26, 4093-4099 (Top期刊，IF: 25.809)

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)

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

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)

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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.

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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.

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2012

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.

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2011

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.

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

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.

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.

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.

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.

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

2010, 114, 3280-3286.

2009

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.