北京大学本科毕业，美国加州大学洛杉矶分校(University of California, Los Angeles)博士毕业。2015年11月加入苏州大学功能纳米与软物质研究院，教授、博士生导师。
Email:xulai15@suda.edu.cn
办公电话：

研究领域：
本课题组的研究集中于纳米材料模拟、性质计算、以及新型纳米材料设计。致力于构建材料结构模型，探索材料从微观到宏观的演变历程，通过模拟发掘新的性能，从而指导设计新型材料。主要研究方向包括但不限于：
1.表界面催化反应设计
2.纳米材料电池设计与应用

主要成果和贡献：
在计算材料模拟领域，尤其是材料结构构建领域，取得了突出成果：1）在纯实验组首次开创了材料模拟方向，提出了软物质层状模型，阐明了堆叠－交叉－蜷曲的结构构建机理，分析了分子动力学优化的结构单元微孔单元，探索了微孔纳米材料在催化、气体存储、气体分离与传输等方面的应用，进一步揭示了超轻材料的广泛应用前景；2）开创了环加成反应直接动力学模拟新领域，首次提出分子动力学蓝图和成键时间差模型，填补了有机机理研究方法的空白，在国际学术界引起了强烈的反响，获得Nature Chemistry杂志的高度评价。撰写了具有国际权威的专著一部，论文先后发表在J.Am. Chem. Soc.、Angew. Chem. Int. Ed.、PNAS等国际权威期刊。3）首次构建了无机金属材料的团簇结构，研究了气体小分子与材料表面的相互作用，与平板模拟方法取得良好一致。
近年来，主要荣誉包括：江苏省第十四批“六大人才高峰”高层次人才(2017年)；江苏省双创博士（世界名校类（创新），2016年）；苏州市高等院校、科研院所紧缺高层次人才（2016年）；“美国化学会化学计算组科研杰出奖”(American Chemical Society Chemical Computing Group Research Excellence Award, 2009年)；“南加州科工学会奖学金”(Chinese-American Engineers and Scientists Association of Southern California Scholarship，2009年)等。

现主持项目情况：
国家自然科学基金重大研究计划培育项目：2020.1-2022.12，主持人
国家自然科学基金青年项目：2017.01–2019.12，主持人。

近期代表性论文
26.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 NanocubesJ. Am.Chem.Soc.2019 DOI:10.1021/jacs.9b10816
25. 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.
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 Rhnanosheets for methanoloxidation reactionApplied Catalysis B: Environmental2019, 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 methodGreen Chemistry2019, 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 BatteriesNano Lett., 2019, DOI:10.1021/acs.nanolett.9b02115
14Chao Tang, Chongyang Chen, Weiwei Xu,Lai Xu*, Design of Doped Cesium Lead Halide Perovskite as Photo-Catalytic CO₂Reduction 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 SplittingACS 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. Interfaces2018DOI: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 PhotocatalystPhys. 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 SupercapacitorsNano 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 TherapyAdv. Mater.2017 DOI: 10.1002/adma.
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 AcceptorsSolar RRL2017 DOI: 10.1002/solr.
5. Chao Tang, Weiwei Xu, Chongyang Chen, Youyong Li,Lai Xu*, Unraveling the Orientation of MoS2 on TiO2 for Photocatalytic Water Splitting.Adv. Mater.Interfaces2017DOI: 10.1002/admi.
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.LaiXu,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).


专著章节：
D. C. Merrer, K. N. Houk, L. Xu, Chapter 5 “Dynamics in Carbene Reactions”, in “Contemporary Carbene Chemistry” (Editor: Robert Moss and Michael Doyle),John Wiley & Sons 2013. DOI: 10.1002/79.ch5 (受邀,封面图片)
招生方向：
本课题组热忱欢迎热爱科研的同学们加盟。招生方向包括材料学，有机化学，无机化学。欢迎具有材料、物理、化学背景的同学报考。有疑问请随时联系xulai15@suda.edu.cn

本课题组2016级硕士毕业生分别就职于外企及私企。



责任编辑：杨娟