徐昕，复旦大学化学系 教授，博士生导师。
学习和工作简历
● 复旦大学化学系 教授 （2010-）
● 美国加州理工学院 Visiting Associate（2000-2003）
● 日本京都大学访问教授（1995.7-8; 1995.11-1996.3; 1996.9-9; 1999.2-4; 1999.10-12; 2003.12-12）
● 厦门大学化学系 教授 （1995-2010），博导（1998）
● 厦门大学化学系副教授 （1993-1995）
● 中国科学院福建物质结构研究所博士后（1991-1993）
● 厦门大学理学博士 （1991）
● 厦门大学理学学士 （1985）
| 研究兴趣 | 详细内容 > |
密度泛函理论及其应用
授 讲授课程
● 国家精品课程/本科生荣誉课程《物理化学A I》
● 本科生荣誉课程《量子化学原理与应用》
学术任职
● 《JACS Au》副主编 2020-
● 《Mol. Phys.》编委 2019-
● 《Elec. Struc.》编委 2018-
● 《Theor. Chem. Acc.》编委 2015-
● 《Chin. J. Chem. Phys.》编委 2010-
● 《物理化学学报》编委 2009-2015；2020-
● 中国化学会会士 2020-
● 中国化学会化学动力学专业委员会委员 2013-
● 中国化学会理论化学专业委员会委员 2009-
● 计算物质科学教育部重点实验室学术委员 2010-
学术荣誉
● 2019 教育部自然科学奖一等奖
● 2011 教育部长江学者奖励计划
● 2010-2013 复旦大学特聘教授
● 2006-2010 厦门大学卢嘉锡特聘教授
● 2006-2010 福建省闽江学者
● 2006-2009 国家杰出青年科学基金
● 2000-2005 教育部首届青年教师奖
● 1998-2000 霍英东青年教师奖励基金
● 1994-1997 国家自然科学青年基金
● 1995 中国化学会青年化学奖
● 1995 厦门大学清源奖
● 1993 首届中国博士后学术大会“优秀论文奖”
| 代表性论文 | 详细内容 > |
1. Zheng Chen, Zhangyun Liu, and Xin Xu*, Accurate descriptions of molecule-surface interactions in electrocatalytic CO2 reduction on the copper surfaces., Nat. Commun. 2023, 14(1), 936
2. Zheng Chen, Zhangyun Liu, and Xin Xu*, Dynamic evolution of the active center driven by hemilabile coordination in Cu/CeO2 single-atom catalyst, Nat. Commun. 2023, 14(1), 2512
3. Yali Ji, Zheng Chen, Ruilin Wei, Chao Yang, Yuhang Wang, Jie Xu, Hao Zhang, Anxiang Guan, Jiatang Chen, Tsun-Kong Sham, Jun Luo, Yaoyue Yang, Xin Xu*, and Gengfeng Zheng,* Selective CO-to-acetate electroproduction via intermediate adsorption tuning on ordered Cu-Pd sites, Nat. Catal., 2022, 5, 251-258.
4. Tang, C.; Chen, Z.; Wang, Y.; Xiao, T.; Li, X.; Zheng, C.; Xu, X.*; Sun, Z.*, Atomic Editing Copper Twin Boundary for Precision CO2 Reduction. ACS Catalysis 2022, 12 (19), 11838-11844.
5. Yizhen Wang, Yajing Li, Jun Chen, Igor Ying Zhang*, Xin Xu*, Doubly Hybrid Functionals Close to Chemical Accuracy for Both Finite and Extended Systems: Implementation and Test of XYG3 and XYGJ-OS, JACS Au, 2021, 1, 543-549.
6. Zheng Chen, Zhangyun Liu, and Xin Xu*, Coverage-Dependent Microkinetics in Heterogeneous Catalysis Powered by the Maximum Rate Analysis, ACS Catal. 2021, 11, 9333−9344
7. Jingwei Weng, Maohua Yang, Wenning Wang*, Xin Xu*, Zhongqun Tian, Revealing Thermodynamics and Kinetics of Lipid Self-Assembly by Markov State Model Analysis, J. Am. Chem. Soc., 2020, 142(51), 21344-21352.
8. Zhangyun Liu, Zheng Chen, Jinyang Xi, Xin Xu*, An Accurate Single-Descriptor for Ion-π Interactions, Natl. Sci. Rev., 2020, 7(6) 1036-1045.
9. Sai Duan, Igor Ying Zhang, Zhen Xie, Xin Xu*, Identification of Water Hexamer on Cu(111) Surfaces, J. Am. Chem. Soc., 2020, 142(15), 6902-6906.
10.Neil Qiang Su, Xin Xu*, Insights into Direct Methods for Predictions of Ionization Potential and Electron Affinity in Density Functional Theory, J. Phys. Chem. Lett. 2019, 10, 2692−2699
11.Neil Qiang Su, Zhenyu Zhu, Xin Xu*, Doubly Hybrid Density Functionals That Correctly Describe Both Density and Energy for Atoms, Proc. Natl. Acad. Sci. U.S.A., 2018, 115(10), 2287-2292
12.Neil Qiang Su, Xin Xu*, ‘Development of New DFT Functionals’, Annu. Rev. Phys. Chem., 2017, 68, 155-182.
13.Igor Ying Zhang, Xin Xu, A New-Generation Density Functional TowardsChemical Accuracy for Chemistry of Main Group Elements, SpringerBriefs in Molecular Science, Springer Heidelberg, 2014, ISBN 978-3-642-40420-7
14.Wenping Guo, Anan Wu, Igor Ying Zhang, and Xin Xu*, XO: An Extended ONIOM Method for Accurate and Efficient Modeling of Large Systems, J. Comput. Chem.,2012, 33, 2142(Cover Paper)
15.Igor Ying Zhang, Xin Xu*, Yousung Jung*, and William A. Goddard III*, A Fast Doubly Hybrid Density Functional Method Close to Chemical Accuracy: XYGJ-OS, Proc. Natl. Acad. Sci. USA, 2011, 108, 19896–19900
16.Igor Ying Zhang, Jianming Wu, Xin Xu*, Extending the Reliability and Applicability of B3LYP, Chem. Comm.46(2010) 3057 (Feature Article)
17.Ying Zhang, Xin Xu*, William A. Goddard III*, Doubly Hybrid Density Functional for Accurate Descriptions of Nonbond Interactions, Thermochemistry, and Thermochemical Kinetics, Proc. Nat. Acad. Sci. USA, 2009, 106, 4963-4968
18.Gang Fu, Xin Xu*, Xin Lu, Huilin Wan*, Mechanisms of Methane Activation and Transformation on Molybdenum Oxide Based Catalysts, J. Am. Chem. Soc., 2005, 127, 3989
19.Xin Xu, and William A. Goddard III*, The X3LYP Extended Density Functional for Accurate Descriptions of Nonbond Interactions (London Forces, Electrostatics, and Hydrogen Bonding), Spin States, and Thermochemical Properties, Proc. Natl. Acad. Sci. USA, 2004, 101, 2673
20.Xin Xu*, Songyun Kang, Tokio Yamabe, Nitridation of Si(100)-(2x1) Surface by NH3: A Quantum Chemical Cluster Model Study, Phys. Rev. Lett., 2002, 88(7), 076106
