Research output per year
Research output per year
Personal profile
Personal profile
At present, he has published 47 papers as the first author/(co-corresponding author), including PNAS, JACS, Angew Chem, Nat Commun, Adv Mater, JPCL, PCCP, etc., H-index = 29, and participated in the compilation of 1 international monograph. He was awarded "Excellent doctoral Dissertation of Tsinghua University". He presided over 2 projects of the National Natural Science Foundation and 1 project of Beijing Natural Science Foundation. He has made many invited reports at academic conferences at home and abroad.
Research Group Home:
https://www.x-mol.com/groups/zheng_xiaoyan
Research Group Home:
https://www.x-mol.com/groups/zheng_xiaoyan
Research Interests
1) Supramolecular assembly mechanism
2) Luminescence and charge transport of organic molecule aggregates
3) Integrated molecular material design and high-throughput screening for tumor diagnosis and treatment
4) Relationship between structure regulation and luminescence properties of flexible porous materials
5) Molecular design of photocatalytic materials
2) Luminescence and charge transport of organic molecule aggregates
3) Integrated molecular material design and high-throughput screening for tumor diagnosis and treatment
4) Relationship between structure regulation and luminescence properties of flexible porous materials
5) Molecular design of photocatalytic materials
Education
2014 PhD, Tsinghua University
2014-2018 Postdoctoral Fellow, Hong Kong University of Science and Technology
2014-2018 Postdoctoral Fellow, Hong Kong University of Science and Technology
Professional Experience
April 2018 - July 2022 Assistant Professor, Beijing Institute of Technology
July 2022 - Present Beijing Institute of Technology, Associate Professor
July 2022 - Present Beijing Institute of Technology, Associate Professor
Research Achievement
1. X. Y. Zheng#, M. H.-Y. Chan#, A. K.-W. Chan#, S. Q. Cao, M. Ng, F. K. Sheong, C. Li, E. C. Goonetilleke, W. W. Y. Lam, T.-C. Lau, X. H. Huang*, V. W.-W. Yam*. Elucidation of the key role of Pt···Pt interactions in the directional self-assembly of platinum(II) complexes. Proc. Natl. Acad. Sci. U.S.A. 2022, 119 (12), e2116543119.
2. Y. F. Shi, Y. Zeng, P. Kucheryavy, X. D. Yin, K. Zhang, K, G. Y. Meng, J. F. Chen, Q. Zhu, N. Wang, X. Y. Zheng*, F. Jäkle*, P. K. Chen*, Dynamic B/N Lewis Pairs: Insights into the Structural Variations and Photochromism via Light-Induced Fluorescence to Phosphorescence Switching. Angew. Chem. Int. Ed., 2022, 61, e202213615.
3. J. W. Wang, R. Yan, Y. F. Hu, G. S. Du, G. M. Liao, H. Z. Yang, Y. J. Luo, X. Y. Zheng*, Y. B. Chen*, S. N. Wang, X. Y. Li*. Density-Dependent Emission Colors from a Conformation-Switching Chromophore in Polyurethanes. Angew. Chem. Int. Ed. 2022, 61, e202112290.
4. H. Q. Gao, Xingchen Duan, Di Jiao, Yi Zeng, Xiaoyan Zheng*, Jingtian Zhang, Hanlin Ou, Ji Qi*, Dan Ding*, Boosting Photoacoustic Effect via Intramolecular Motions Amplifying Thermal-to-Acoustic Conversion Efficiency for Adaptive Image-Guided Cancer Surgery. Angew. Chem. Int. Ed. 2021, 60, 2-11.
5. 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.
6. Z. Zhao#, X. Y. Zheng#, 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.
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.
8. Z. Zhao#, X. Y. Zheng#, 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.
9. 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.
10. H. K. Zhang#, X. Y. Zheng#, 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.
11. J. Y. Zhao, Y. Zeng, X. Y. Zheng*, Conformational Flexibility-Controlled Piezochromic Behavior of Organic Fluorophores, Chem. Mater. 2022, 34, 10711–10720.
12. J. Zhang, Y. J. Fang, Y. Zeng, Z. S. LI, X. Y. Zheng*, Theoretical Insights into Rational Design of Small Organic Phototheranostic Agents for Promoting Image-Guided Cancer Surgery, Mater. Chem. Front. 2023, 7(3), 545-553.
13. Y. X. Lei#, J. F. Yang# (co-first author), W. B. Dai, Y. S. Lan, J. H. Yang, X. Y. Zheng*, J. B. Shi, B. Tong, Z. X. Cai,* Y. P. Dong. Efficient and Organic Host-Guest Room-Temperature Phosphorescence: Tunable Triplet-Singlet Crossing and Theoretical Calculation for Molecular Packing. Chem. Sci. 2021,12, 6518-6525.
14. F. Ren, Z. S. Li, K. Li*, X. Y. Zheng*, J. B. Shi*, C. Zhang, H. Guo, B. Tong, L. Xi, Z. X. Cai, Y. P. Dong* Donor Strategy for Promoting Nonradiative Decay to Achieve an Efficient Photothermal Therapy for Treating Cancer. Sci. China. Chem. 2021, 64, 1530-1539.
15. Y. L. Ning, J. F. Yang, H. Si, H. Z. Wu, A. J. Qin,* X. Y. Zheng*, B. Z. Tang. Ultralong Organic Room-Temperature Phosphorescence of Electron-donating and Commercially Available Host and Guest Molecules through Efficient Förster Resonance Energy Transfer. Sci. China. Chem. 2021, 64, 739–744.
16. 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, 12, 6617-6623.
17. 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. 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.
18. 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.
19. 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 Supra-molecular Polymerizability of Tetraphenylethene-Based Stereoisomers. J. Am. Chem. Soc. 2017, 139, 10150-10156.
20. 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
21. 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 Semi-conductors: A Computational Study. Adv. Funct. Mater. 2014, 24, 5531-5540.
22. X. Y. Zheng, D. Wang*, Z. G. Shuai*. Coarse-grained Molecular Dynamics Simulations of Photoswitchable Assembly and Disassembly. Nanoscale 2013, 5, 3681-3689.
2. Y. F. Shi, Y. Zeng, P. Kucheryavy, X. D. Yin, K. Zhang, K, G. Y. Meng, J. F. Chen, Q. Zhu, N. Wang, X. Y. Zheng*, F. Jäkle*, P. K. Chen*, Dynamic B/N Lewis Pairs: Insights into the Structural Variations and Photochromism via Light-Induced Fluorescence to Phosphorescence Switching. Angew. Chem. Int. Ed., 2022, 61, e202213615.
3. J. W. Wang, R. Yan, Y. F. Hu, G. S. Du, G. M. Liao, H. Z. Yang, Y. J. Luo, X. Y. Zheng*, Y. B. Chen*, S. N. Wang, X. Y. Li*. Density-Dependent Emission Colors from a Conformation-Switching Chromophore in Polyurethanes. Angew. Chem. Int. Ed. 2022, 61, e202112290.
4. H. Q. Gao, Xingchen Duan, Di Jiao, Yi Zeng, Xiaoyan Zheng*, Jingtian Zhang, Hanlin Ou, Ji Qi*, Dan Ding*, Boosting Photoacoustic Effect via Intramolecular Motions Amplifying Thermal-to-Acoustic Conversion Efficiency for Adaptive Image-Guided Cancer Surgery. Angew. Chem. Int. Ed. 2021, 60, 2-11.
5. 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.
6. Z. Zhao#, X. Y. Zheng#, 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.
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.
8. Z. Zhao#, X. Y. Zheng#, 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.
9. 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.
10. H. K. Zhang#, X. Y. Zheng#, 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.
11. J. Y. Zhao, Y. Zeng, X. Y. Zheng*, Conformational Flexibility-Controlled Piezochromic Behavior of Organic Fluorophores, Chem. Mater. 2022, 34, 10711–10720.
12. J. Zhang, Y. J. Fang, Y. Zeng, Z. S. LI, X. Y. Zheng*, Theoretical Insights into Rational Design of Small Organic Phototheranostic Agents for Promoting Image-Guided Cancer Surgery, Mater. Chem. Front. 2023, 7(3), 545-553.
13. Y. X. Lei#, J. F. Yang# (co-first author), W. B. Dai, Y. S. Lan, J. H. Yang, X. Y. Zheng*, J. B. Shi, B. Tong, Z. X. Cai,* Y. P. Dong. Efficient and Organic Host-Guest Room-Temperature Phosphorescence: Tunable Triplet-Singlet Crossing and Theoretical Calculation for Molecular Packing. Chem. Sci. 2021,12, 6518-6525.
14. F. Ren, Z. S. Li, K. Li*, X. Y. Zheng*, J. B. Shi*, C. Zhang, H. Guo, B. Tong, L. Xi, Z. X. Cai, Y. P. Dong* Donor Strategy for Promoting Nonradiative Decay to Achieve an Efficient Photothermal Therapy for Treating Cancer. Sci. China. Chem. 2021, 64, 1530-1539.
15. Y. L. Ning, J. F. Yang, H. Si, H. Z. Wu, A. J. Qin,* X. Y. Zheng*, B. Z. Tang. Ultralong Organic Room-Temperature Phosphorescence of Electron-donating and Commercially Available Host and Guest Molecules through Efficient Förster Resonance Energy Transfer. Sci. China. Chem. 2021, 64, 739–744.
16. 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, 12, 6617-6623.
17. 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. 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.
18. 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.
19. 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 Supra-molecular Polymerizability of Tetraphenylethene-Based Stereoisomers. J. Am. Chem. Soc. 2017, 139, 10150-10156.
20. 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
21. 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 Semi-conductors: A Computational Study. Adv. Funct. Mater. 2014, 24, 5531-5540.
22. X. Y. Zheng, D. Wang*, Z. G. Shuai*. Coarse-grained Molecular Dynamics Simulations of Photoswitchable Assembly and Disassembly. Nanoscale 2013, 5, 3681-3689.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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Host-guest interaction induced room-temperature phosphorescence enhancement of organic dyes: a computational study
Luo, X., Zeng, Y., Wei, H. & Zheng, X., 17 Apr 2024, In: Physical Chemistry Chemical Physics. 26, 18, p. 14071-14078 8 p.Research output: Contribution to journal › Article › peer-review
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Markov State Models Reveal How Folding Kinetics Influence Absorption Spectra of Foldamers
Wang, Y., Li, C. & Zheng, X., 9 Jul 2024, In: Journal of Chemical Theory and Computation. 20, 13, p. 5396-5407 12 p.Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus) -
Theoretical insights into the AIE mechanism of assembles
Yang, X. & Zheng, X., Feb 2024, In: Luminescence. 39, 2, e4642.Research output: Contribution to journal › Review article › peer-review
1 Citation (Scopus) -
Theoretical Study of the Photocyclization Reaction-Induced Dual Aggregation-Induced Emission Phenomenon
Yang, J., Wei, H., Ou, Q., Li, Q., Peng, Q. & Zheng, X., 11 Jan 2024, In: Journal of Physical Chemistry A. 128, 1, p. 217-224 8 p.Research output: Contribution to journal › Article › peer-review
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Theoretical study on the luminescence mechanism of AIEgens based HOFs adsorbing small molecules
Yang, X., Zeng, Y., Wei, H., Gu, X. & Zheng, X., Sept 2024, In: Surfaces and Interfaces. 52, 104911.Research output: Contribution to journal › Article › peer-review