個人簡介
國家級青年人才，教授，博士生導(dǎo)師。聚焦“分子組裝結(jié)構(gòu)、動力學與發(fā)光機制”的理論研究，至今共發(fā)表SCI論文百余篇，引用5100余次，H因子37，包括Proc. Natl. Acad. Sci. U.S.A.，J. Am. Chem. Soc.，Angew. Chem. Int. Ed.，Nat. Commun.，Chem. Sci.，J. Phys. Chem. Lett.，J. Chem. Theory Comput.等。主持國家自然科學青年基金項目（B類）（原優(yōu)秀青年科學基金）、國家自然科學基金面上/青年基金項目、北京市自然科學基金、國家人社部高端外國專家項目等。
擔任中國化學會理論化學專業(yè)委員會青年委員；《Surfaces and Interfaces》副主編,《Aggregate》青年編委,《Smart Molecules》青年編委,《Luminescence》青年編委等。
榮獲第十五屆中國化學會唐敖慶理論化學青年獎；清華大學優(yōu)秀博士學位論文;《Aggregate》新銳科學家；“師緣·北理”慶祝第41個教師節(jié)暨教師表彰大會優(yōu)秀人才類獎；北京理工大學優(yōu)秀碩士學位論文指導(dǎo)教師。
課題組鏈接：https://www.x-mol.com/groups/zheng_xiaoyan
研究領(lǐng)域和方向
發(fā)展分子組裝動力學網(wǎng)絡(luò)模型
手性組裝動力學與圓偏振發(fā)光機制
聚集體激發(fā)態(tài)過程多尺度模擬
人工智能賦能光功能材料設(shè)計
教育背景
2014年 清華大學 博士
2014年-2018年 香港科技大學 博士后
工作履歷
2018年4月-2022年7月 北京理工大學，預(yù)聘助理教授
2022年7月-2025年8月 北京理工大學，長聘副教授
2025年8月-至今 北京理工大學，教授
研究成果
主持項目情況：
國家自然科學青年基金項目（B類）（原優(yōu)秀青年科學基金），主持，2026/01-2028/12
國家自然科學基金面上項目，主持，2022/01-2025/12
國家自然科學基金青年項目，主持，2019/01-2021/12
國家人社部高端外國專家項目，主持，2024/01-2025/12
北京市自然科學基金面上項目，主持，2022/01-2024/12
河北省自然科學基金面上項目，主持，2025/01-2027/12
北京理工大學科技創(chuàng)新計劃原創(chuàng)基礎(chǔ)前沿交叉學科創(chuàng)新專項計劃項目，主持，2022/01-2023.12
北京理工大學科技創(chuàng)新計劃科研基地科技支撐專項計劃，主持，2024/01-2024/12
北京理工大學科技創(chuàng)新計劃科研基地科技支撐專項計劃，主持，2025/01-2025/12
發(fā)表文章情況：
1. Y. Zeng,∥ J. M. Qu,∥ G. H. Wu, Y. Y. Zhao, J. M. Hao, Y. P. Dong, Z. S. Li, J. B. Shi*, J. S. Francisco*, X. Y. Zheng*. Two Key Descriptors for Designing Second Near-Infrared Dyes and Experimental Validation. J. Am. Chem. Soc., 2024, 146, 14, 9888.
2. Y. J. Wang, C. Li*, X. Y. Zheng*. Markov State Models Reveal How Folding Kinetics Influence Absorption Spectra of Foldamers. J. Chem. Theory Comput. 2024, 20(13), 5396.
3. J. F. Yang, J. K. Lv, Y. Jiao, X. Y. Zheng*, Q. Peng*. Size-dependent Stability and Luminescence Property in Organic Aggregates. Aggregate 2025, e70029.
4. X. Y. Zheng, Q. Peng*. Multiscale Simulations and Property Predictions for Organic Luminescent Aggregates. WIREs Comput. Mol. Sci., 2025, 15, e70021.
5. 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.
6. 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. J?kle*, 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.
7. 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.
8. 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.
9. 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.
10. 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.
11. 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.
12. 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.
13. 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.
14. J. Y. Zhao, Y. Zeng, X. Y. Zheng*, Conformational Flexibility-Controlled Piezochromic Behavior of Organic Fluorophores, Chem. Mater. 2022, 34, 10711.
15. Y. X. Lei#, J. F. Yang#, 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.
16. 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.
17. 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 F?rster Resonance Energy Transfer. Sci. China. Chem. 2021, 64, 739–744.
18. 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.