目前以第一作者/（共同）通讯作者发表论文47篇，包括PNAS, JACS, Angew Chem，Nat Commun，Adv Mater， JPCL，PCCP等，H-index = 29，并参编国际专著1部。曾获评“清华大学优秀博士学位论文”。主持国家自然科学基金2项，主持北京市自然科学基金面上项目1项。多次在国内外学术会议作邀请报告。
课题组主页：
https://www.x-mol.com/groups/zheng_xiaoyan

1）超分子组装机理
2）有机分子聚集体发光和电荷传输
3）肿瘤诊疗一体化分子材料设计和高通量筛选
4）柔性多孔材料结构调控和发光性能关系
5）光催化材料的分子设计

2014年 清华大学 博士
2014年-2018年 香港科技大学 博士后

2018年4月-2022年7月 北京理工大学，预聘助理教授
2022年7月-至今 北京理工大学，长聘副教授

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.