個(gè)人簡介
國家級(jí)青年人才，教授，博士生導(dǎo)師。聚焦“分子組裝結(jié)構(gòu)、動(dòng)力學(xué)與發(fā)光機(jī)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(xué)青年基金項(xiàng)目（B類）（原優(yōu)秀青年科學(xué)基金）、國家自然科學(xué)基金面上/青年基金項(xiàng)目、北京市自然科學(xué)基金、國家人社部高端外國專家項(xiàng)目等。
擔(dān)任中國化學(xué)會(huì)理論化學(xué)專業(yè)委員會(huì)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(xué)會(huì)唐敖慶理論化學(xué)青年獎(jiǎng)；清華大學(xué)優(yōu)秀博士學(xué)位論文;《Aggregate》新銳科學(xué)家；“師緣·北理”慶祝第41個(gè)教師節(jié)暨教師表彰大會(huì)優(yōu)秀人才類獎(jiǎng)；北京理工大學(xué)優(yōu)秀碩士學(xué)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(dòng)力學(xué)網(wǎng)絡(luò)模型
手性組裝動(dòng)力學(xué)與圓偏振發(fā)光機(jī)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(jì)
教育背景
2014年 清華大學(xué) 博士
2014年-2018年 香港科技大學(xué) 博士后
工作履歷
2018年4月-2022年7月 北京理工大學(xué)，預(yù)聘助理教授
2022年7月-2025年8月 北京理工大學(xué)，長聘副教授
2025年8月-至今 北京理工大學(xué)，教授
研究成果
主持項(xiàng)目情況：
國家自然科學(xué)青年基金項(xiàng)目（B類）（原優(yōu)秀青年科學(xué)基金），主持，2026/01-2028/12
國家自然科學(xué)基金面上項(xiàng)目，主持，2022/01-2025/12
國家自然科學(xué)基金青年項(xiàng)目，主持，2019/01-2021/12
國家人社部高端外國專家項(xiàng)目，主持，2024/01-2025/12
北京市自然科學(xué)基金面上項(xiàng)目，主持，2022/01-2024/12
河北省自然科學(xué)基金面上項(xiàng)目，主持，2025/01-2027/12
北京理工大學(xué)科技創(chuàng)新計(jì)劃原創(chuàng)基礎(chǔ)前沿交叉學(xué)科創(chuàng)新專項(xiàng)計(jì)劃項(xiàng)目，主持，2022/01-2023.12
北京理工大學(xué)科技創(chuàng)新計(jì)劃科研基地科技支撐專項(xiàng)計(jì)劃，主持，2024/01-2024/12
北京理工大學(xué)科技創(chuàng)新計(jì)劃科研基地科技支撐專項(xiàng)計(jì)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.