member_title
研究助理教授
member_company
化学系
member_phone
暂无
member_email
xucq@sustech.edu.cn
member_intr
2008.09-2012.06,北京化工大学高分子材料与工程专业,学士学位,获北京市优秀毕业生;2012.09-2017.06,清华大学化学系,博士学位(导师:李隽 教授),获卢嘉锡优秀研究生奖;2015.09-2016.09,美国西北太平洋国家实验室,访问****(导师:Dr. Roger Rousseau, Dr. Vassiliki-Alexander Glezakou),国家留学基金委资助;2017.07-至今,清华大学化学系,助理研究员(导师:李隽&李亚栋 教授),获中国博士后科学基金面上资助一等;2019.09-至今,南方科技大学化学系,研究助理教授。
主要从事稀土小分子、团簇和无机材料的结构、磁学性质、光学性质及催化性质的理论研究,采用量子力学电子结构和化学成键分析方法探讨团簇和材料的稳定性、反应性和相关热力学、动力学规律等。迄今为止,许聪俏博士发表高水平SCI论文26篇,其中第一作者(包括共同一作)10篇。
近年资助:
2018.09–2019.07,中国博士后科学基金面上项目一等资助,负载型镍基催化剂的甲烷-二氧化碳重整反应的理论研究
代表性论文:
以第一作者及共同第一作者发表论文10篇:
1. C.-Q. Xu, M.-S. Lee, Y.-G Wang, D.-C. Cantu, J. Li, V.-A. Glezakou, R. Rousseau, "Structural Rearrangement of Au-Pd Nanoparticles under Reaction Conditions: An Ab Initio Molecular Dynamics Study", ACS Nano, 2017, 11(2), 1649-1658.
2. C.-Q. Xu, D.-H. Xing, H. Xiao, J. Li, "Manipulating Stabilities and Catalytic Properties of Trinuclear Metal Clusters through Tuning the Chemical Bonding: H2 Adsorption and Activation", J. Phys. Chem. C, 2017, 121(20), 10992-11001.
3. C.-Q. Xu, X.-G. Xiong, W.-L. Li, J. Li, "Periodicity and Covalency of [MX2]- (M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes", Eur. J. Inorg. Chem., 2016, 2016(9), 1395-1404.
4. S.-F. Yuan?, C.-Q. Xu?, J. Li, Q.-M. Wang, “A Ligand‐Protected Golden Fullerene: The Dipyridylamido Au328+ Nanocluster”, Angew. Chem. Int. Ed., 2019, 58(18), 5906-5909. (?Co-first author)
5. W.-Q. Wang?, C.-Q. Xu?, Y. Fang, Y. Zhao, J. Li, X. Wang, “An Isolable Diphosphene Radical Cation Stablized by Three-Center Three-Election π-Bonding with Chromium: End-on vs Side-on Coordination”, Angew. Chem. Int. Ed., 2018, 57(30), 9419-9424.
6. H.-X. Xu?, C.-Q. Xu?, D.-J. Cheng, J. Li, "Identification of Activity Trends for CO Oxidation on Supported Transition-Metal Single Atom Catalysts", Catal. Sci. Technol., 2017, 7(24), 5860-5871.
7. F.-X. Pan?, C.-Q. Xu?, L.-J. Li, X. Min, J.-Q. Wang, J. Li, H.-J. Zhai, Z.-M. Sun, "A Niobium-Necked Cluster [As3Nb(As3Sn3)]3- with Aromatic Sn32-", Dalton Trans., 2016, 45(9), 3874-3879.
8. C.-Y. Liu?, C.-Q. Xu?, J.-G. Yu, Y.-S. Pui, H.-J. Chen, S. Wang, A. Zhu, J. Li, F. Qian, "Impact of a Single Hydrogen Substitution by Fluorine on the Molecular Interaction and Miscibility between Sorafenib and Polymers", Mol. Pharmaceutics, 2019, 16(1), 318-326.
9. Z.-W. Zhuang?, Y. Wang?, C.-Q. Xu?, S.-J. Liu, C. Chen, Q. Peng, Z.-B. Zhuang, H. Xiao, Y. Pan, S.-Q. Lu, R. Yu, W.-C Cheong, X. Cao, K.-L. Wu, K.-A. Sun, Y. Wang, D.-S. Wang, J. Li, Y.-D. Li, "Three-Dimensional Open Nano-Netcage Electrocatalysts for Efficient pH-Universal Overall Water Splitting", Nat. Commun., 2019, 10, 4875.
10. W.-T. Xiang?, Z.-D. Li?, C.-Q. Xu?, J. Li, W.-K. Zhang, H.-P. Xu, "Quantifying the Bonding Strength of Gold-Chalcogen Bonds in Block Copolymer Systems", Chem. – Asian J., 2019, 14(9), 1481-1486.
11. J.-J. Gao, C.-Q. Xu, S.-F. Hung, W. Liu, W.-Z Cai, Z.-P. Zeng, C.-M. Jia, H.-M. Chen, H. Xiao, J. Li, Y.-Q Huang, B. Liu, "Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation", J. Am. Chem. Soc., 2019, 141(7), 3014-3023.
12. D.-H. Xing, C.-Q. Xu, Y.-G. Wang, J. Li, "Heterogeneous Single Cluster Catalysts for Selective Semi-Hydrogenation of Acetylene with Graphdiyne-Supported Triatomic Clusters", J. Phys. Chem. C, 2019, 123(16), 10494-10500.
13. W.-L. Li, C.-Q. Xu, S.-X. Hu, J. Li, "Theoretical Studies on the Bonding and Electron Structures of [Au3Sb6]3- Complex and Its Oligomers", Dalton Trans., 2016, 45(29), 11657-11667.
14. X.-M. Chen, S.-C. Liu, C.-Q. Xu, D. Wei, J. Li, X. Chen, "Unravelling a General Mechanism of Converting Ionic B/N Complexes into Neutral B/N Analogues of Alkanes: Hδ+···Hδ- Dihydrogen Bonding Assisted Dehydrogenation", Chem. Commun., 2019, 55(81), 12239-12242.
15. Q.-N. Zhang, W.-L. Li, C.-Q. Xu, M.-H. Chen, M.-F. Zhou, J. Li, D. M. Andrada, G. Frenking, "Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2]-", Angew. Chem. Int. Ed., 2015, 54(38), 11078-11083.
16. W.-L. Li, Y. Li, C.-Q. Xu, X.-B. Wang, E. Vorpagel, J. Li, "Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4]? (X = F, Cl, Br, I, At, Uus)", Inorg. Chem., 2015, 54(23), 11157-11167.
17. X.-G. Xiong, Y.-L. Wang, C.-Q. Xu, Y.-H. Qiu, L.-S. Wang, J. Li, “On the Gold-Ligand Covalency in Linear [AuX2]– Complexes”, Dalton Trans., 2015, 44(12), 5535-5546.
18. J.-X. Liang, X.-F. Yang, C.-Q. Xu, T. Zhang, J. Li, "Catalytic Activities of Single-Atom Catalysts for CO Oxidation: Pt1/FeOx vs. Fe1/FeOx", Chin. J. Catal., 2017, 38(9), 1566-1573.
19. Y. Yu, M.-Z. Zhou, F. Kirsch, C.-Q. Xu, L. Zhang, Y. Wang, Z. Jiang, N. Wang, J. Li, T. Eitinger, M.-J. Yang, "Planar Substrate-Binding Site Dictates the Specificity of ECF-Type Nickel/Cobalt Transporters", Cell Res., 2014, 24(3), 267-277.
20. B.-T. Qiao, J.-X. Liang, A.-Q. Wang, C.-Q. Xu, J. Li, T. Zhang, J. -Y (Jimmy) Liu, "Ultrastable Single-Atom Gold Catalysts with Strong Covalent Metal-Support Interaction (CMSI) ", Nano Res., 2015, 8(9), 2913-2924.
21. J. Yu, B. Zhang, Y.-X. Zhang, C.-Q. Xu, W. Zhuo, J.-P. Ge, J. Li, N. Gao, Y. Li, M.-J. Yang, "A Binding-Block Ion Selective Mechanism Revealed by a Na/K Selective Channel", Protein Cell, 2018, 9(7), 629-639.
22. C.-L. Lv, H. Cheng, W. He, M.-I -A. Shah, C.-Q. Xu, X.-J. Meng, L. Jiao, S.-Q. Wei, J. Li, L. Liu, Y.-D. Li, "Pd3 Cluster Catalysis: Compelling Evidence from in Operando Spectroscopic, Kinetic and DFT Studies", Nano Res., 2016, 9(9), 2544-2550.
23. C. Liu, L.-J. Li, I. A. Popov, R. J. Wilson, C.-Q. Xu, J. Li, A. I. Boldyrev, Z.-M. Sun, “Symmetry Reduction upon Size Mismatch: The Non-Icosahedral Intermetalloid Cluster [Co@Ge12]3?", Chin. J. Chem., 2018, 36(12), 1165-1168.
24. C. Liu, N.-V. Tkachenko, I.-A. Popov, N. Fedik, X. Min, C.-Q. Xu, J. Li, J.-E. McGrady, A.-I. Boldyrev, Z.-M. Sun," Structure and Bonding in [Sb@In8Sb12]3? and [Sb@In8Sb12]5?", Angew. Chem. Int. Ed., 2019, DOI: 10.1002/anie..
25. H.-T. Liu, Y.-L. Wang, X.-G Xiong, P. D. Dau, Z. A. Piazza, D.-L. Huang, C.-Q. Xu, J. Li, L.-S. Wang, "The Electronic Structure and Chemical Bonding in Gold Dihydride: AuH2- and AuH2", Chem. Sci., 2012, 3(11), 3286?3295.
26. Y.-N. Dong, Y.-J. Mu, Y.-C. Xie, Y.-P. Zhang, Y.-Y. Han, Y. Zhou, W.-H. Wang, Z.-H. Liu, M. Wu, H. Wang, M. Pan, N. Xu, C.-Q. Xu, M.-J. Yang, S.-L. Fan, H.-T. Deng, T.-W. Tan, X.-Y. Liu, L. liu, J. Li, J.-W. Wang, X.-Y. Fang, Y. Feng, "Structural Basis of Ubiquitin Modification by the Legionella Effector SdeA", Nature, 2018, 557, 674-678.
member_profilepic
/Chemistry/public/upload/portal/**/058b160830a8226fe6fa3b5fee9e156c.jpg
member_office
创园5栋
create_time
2020-01-09 10:32:51
member_researchfield
理论与计算化学、无机化学、物理化学
member_researchgroup
member_position":7