人物經歷
北京大學本科畢業,美國加州大學洛杉磯分校(University of California, Los Angeles)博士畢業。2015年11月加入蘇州大學功能納米與軟物質研究院,教授、博士生導師。2024年3月榮獲中國化學會高級會員。
研究方向
1. 表界面催化反應設計
2. 納米材料電池設計與套用
研究領域
本課題組的研究集中於納米材料模擬、性質計算、以及新型納米材料設計。致力於構建材料結構模型,探索材料從微觀到巨觀的演變歷程,通過模擬發掘新的性能,從而指導設計新型材料。主要研究方向包括但不限於:
1. 表界面催化反應設計
2. 納米材料電池設計與套用
主要成果和貢獻
在計算材料模擬領域,尤其是材料結構構建領域,取得了突出成果:
1)在純實驗組首次開創了材料模擬方向,提出了軟物質層狀模型,闡明了堆疊-交叉-蜷曲的結構構建機理,分析了分子動力學最佳化的結構單元微孔單元,探索了微孔納米材料在催化、氣體存儲、氣體分離與傳輸等方面的套用,進一步揭示了超輕材料的廣泛套用前景;
2)開創了環加成反應直接動力學模擬新領域,首次提出分子動力學藍圖和成鍵時間差模型,填補了有機機理研究方法的空白,在國際學術界引起了強烈的反響, 獲得Nature Chemistry雜誌的高度評價。撰寫了具有國際權威的專著一部,論文先後發表在J. Am. Chem. Soc. 、Angew. Chem. Int. Ed. 、PNAS等國際權威期刊。
3)首次構建了無機金屬材料的團簇結構,研究了氣體小分子與材料表面的相互作用,與平板模擬方法取得良好一致。
現主持項目情況
國家自然科學基金面上項目:2023.1-2026.12,主持人
國家自然科學基金重大研究計畫培育項目:2020.1-2022.12,主持人
國家自然科學基金青年項目:2017.01–2019.12,主持人。
主要榮譽
中國化學會高級會員(2024年);江蘇省第十四批“六大人才高峰”高層次人才 (2017年);江蘇省雙創博士(世界名校類(創新),2016年);蘇州市高等院校、科研院所緊缺高層次人才(2016年);“美國化學會化學計算組科研傑出獎”(American Chemical Society Chemical Computing Group Research Excellence Award, 2009年);“南加州科工學會獎學金”(Chinese-American Engineers and Scientists Association of Southern California Scholarship,2009年)等。
近期代表性論文
32. Xin Cao#, Dewei Zhang#, Yongqi Gao#, Oleg V. Prezhdo*, Lai Xu* J. Am. Chem. Soc.2024, DOI:10.1021/jacs.3c12017
31. Dewei Zhang, Oleg V. Prezhdo*, Lai Xu* J. Am. Chem. Soc.2023, DOI: 10.1021/jacs.3c01561
30. Siyu Chen, Yongqi Gao, Wugang Wang, Oleg V. Prezhdo*, Lai Xu* ACS Nano 2023, 17, 1522
29. Y. Feng, Weiwei Xu, B. Huang, Q. Shao, Lai Xu*, S. Yang, Xiaoqing Huang* On-demand, Ultraselective Hydrogenation System Enabled by Precisely Modulated Pd-Cd Nanocubes J. Am.Chem. Soc. 2019 DOI: 10.1021/jacs.9b10816
28. L. Xiong, X. Zhang, H. Yuan, J. Wang et al., Zhao Deng*, Jun Zhong*, Lai Xu*, Yang Peng* Angew. Chem. Int. Ed. 2020, DOI:10.1002/anie.202012631
27. Y. Gu, Yuxiang Min, Li Li, et al. Jun Zhong*, Lai Xu*, Zhao Deng* Chem. Mater. 2021,33,4135.
26. W. Zhu, Siyu Chen, et al. Lai Xu*, Zhenghui Kang*, Mingwang Shao* Chemical Engineering Journal 2021, 420, 129690.
25. Yuxiang Min, Hao Yuan, Wugang Wang, Lai Xu* J. Phys. Chem. Lett. 2021,12, 2742.
24. Hao Yuan, Yuxiang Min, Lai Xu* J.Phys.Chem.Lett.2021,12, 822.
23. Lei Ge, Weiwei Xu, Chongyang Chen, Chao Tang, Lai Xu*, Zhongfang Chen* J. Phys. Chem. Lett. 2020, 11, 5241.
22. Li Li, Lai Xu* Chem. Commun. 2020, DOI: 10.1039/D0CC03723K.
21. Z. Xie, Wugang Wang, D. Ding, Yu Zou*, Yi Cui, Lai Xu*, Jiang Jiang* J. Mater. Chem. A. 2020, 8, 12169.
20. Shiqian Chen, Hao Yuan, Sergey I. Morozov, Lei Ge, Li Li, Lai Xu*, and William A. Goddard III*. J. Phys. Chem. Lett. 2020, 11, 2541-2549
19. Lei Ge, Hao Yuan, Yuxiang Min, Li Li, Shiqian Chen, Lai Xu*, William A. Goddard III* J. Phys. Chem. Lett. 2020, 11, 869-876.
18. W. Zhu, Hao Yuan, Fan Liao*, Y. Shen, H. Shi, Y. Shi, Lai Xu*, M. Ma, Mingwang Shao* Chemical Engineering Journal, 2020, 389, 124240.
17. Y. Zhu, Shiqian Chen, Q. Xue, F. Li*, H. Yao, Lai Xu*, Yu Chen* Hierarchical porous Rh nanosheets for methanoloxidation reaction Applied Catalysis B: Environmental 2019, 264, 118520
16. Y. Xu, T. Li, Weiwei Xu, C. Li, S. E., L. Wang, X. Long, Y. Bai, Lai Xu*, Yagang Yao* Scalable production of high-quality boron nitride nanosheets via a recycable salt-templating method Green Chemistry 2019, 21, 6746
15. Chao Tang, Yuxiang Min, Chongyang Chen, Weiwei Xu, Lai Xu*, Potential Applications of Heterostructures of TMDs with MXenes in Sodium-Ion and Na-O2 Batteries Nano Lett., 2019, DOI:10.1021/acs.nanolett.9b02115
14. Chao Tang, Chongyang Chen, Weiwei Xu, Lai Xu*, Design of Doped Cesium Lead Halide Perovskite as Photo-Catalytic CO2 Reduction Catalyst J. Mater. Chem. A, 2019, DOI: 10.1039/C9TA00550A
13. H. Sun, Yuxiang Min, W. Yang, Y. Lian, L. Lin, K. Feng, Zhao Deng*, M. Chen, J. Zhong, Lai Xu*,Yang Peng* Morphological and Electronic Tuning of Ni2P through Iron Doping toward Highly Efficient Water Splitting ACS Catalysis 2019, 9, 8882.
12. L. Liu, Lei Ge, Y. Sun, B. Jiang, Y. Cheng, Lai Xu*, F. Liao, Zhenhui Kang*, Mingwang Shao* Quasi-layer Co2P-polarized Cu3P nanocomposites with enhanced intrinsic interfacial charge transfer for efficient overall water splitting Nanoscale 2019 DOI: 10.1039/C9NR00720B
11. W. Shen, Lei Ge, Y. Sun, F. Liao, Lai Xu*, Q. Dang, Zhenhui Kang*, Mingwang Shao* Rhodium Nanoparticles/F-Doped Graphene Composites as Multifunctional Electrocatalyst Superior to Pt/C for Hydrogen Evolution and Formic Acid Oxidation Reaction ACS Appl. Mater. Interfaces 2018 DOI: 10.1021/acsami.8b09297
10. Junbo Zhang, Weiwei Xu, Lai Xu*, Qi Shao, Xiaoqing Huang* Concavity Tuning of Intermetallic Pd-Pb Nanocubes for Selective Semihydrogenatin Catalysis Chem. Mater. 2018 DOI: 10.1021/acs.chemmater.8b02337
9. Chongyang Chen, Chao Tang, Weiwei Xu, Youyong Li, Lai Xu*, Design of Iron Atom Modified Thiophene-Linked Metalloporphyrin 2D Conjugated Microporous Polymer as CO2 Reduction Photocatalyst Phys. Chem. Chem. Phys. 2018 DOI:10.1039/C8CP00974K
8. Qichong Zhang, Weiwei Xu, Juan Sun, Zhenghui Pan, Jingxin Zhao, Xiaona Wang, Jun Zhang, Ping Man, Jiabin Guo, Zhenyu Zhou, Bing He, Zengxing Zhang, Qingwen Li, Yuegang Zhang, Lai Xu*, and Yagang Yao*,Constructing Ultrahigh-Capacity Zinc−Nickel−Cobalt Oxide@Ni(OH)2 Core−Shell Nanowire Arrays for High-Performance Coaxial FiberShaped Asymmetric Supercapacitors Nano Lett. 2017 DOI: 10.1021/acs.nanolett.7b03507
7. Yu Yang, Wenjun Zhu, Ziliang Dong, Yu Chao, Lai Xu*, Meiwan Chen* and Zhuang Liu*, 1D Coordination Polymer Nanofibers for Low-Temperature Photothermal Therapy Adv. Mater. 2017 DOI: 10.1002/adma.201703588
6. Yongxi Li, Lian Zhong, Jiu-Dong Lin, Fu-Peng Wu, Hai-Jun Bin, Zhanjun Zhang, Lai Xu*, Zuo-Quan Jiang*, Zhi-Guo Zhang, Feng Liu*, Thomas P. Russel, Yongfang Li, Liang-Sheng Liao, Stephen R. Forrest* Isomeric Effects of Solution Processed Ladder-Type Non-Fullerene Electron Acceptors Solar RRL 2017 DOI: 10.1002/solr.201700107
5. Chao Tang, Weiwei Xu, Chongyang Chen, Youyong Li, Lai Xu*, Unraveling the Orientation of MoS2 on TiO2 for Photocatalytic Water Splitting. Adv. Mater.Interfaces 2017 DOI: 10.1002/admi.201700361
4. Lai Xu*,Youyong Li, Responsive Guest Encapsulation of Dynamic Conjugated Microporous Polymers. Sci. Rep. 2016, 6, 28784.
3. Lai Xu, C. E. Doubleday, K. N. Houk, “Dynamics of Carbene Cycloadditions.” J. Am. Chem. Soc. 2011,133, 17848-17854.
2. Lai Xu,C. E. Doubleday, K. N. Houk, “Dynamicsof 1,3-Diplar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity.” J. Am. Chem. Soc. 2010, 132, 3029-3037.
1. Lai Xu, C. E. Doubleday, K. N. Houk, “Dynamics of 1,3-Dipolar Cycloaddition Reactions of Diazonium Betaines to Acetylene and Ethylene: Bending Vibrations Facilitate Reaction.” Angew. Chem. Int. Ed. 2009,48, 2746-2748 (selected asVery Important Paper,highlighted byNature Chemistry).