Department of Chemistry

Dr. Cong-Qiao Xu obtained her B.S. in Polymer Materials and Engineering in 2012 from Beijing University of Chemical Technology and Ph.D. in 2017 from Department of Chemistry, Tsinghua University (Supervisor: Prof. Jun Li). She was a visiting student in Pacific Northwest National Laboratory from 2015 to 2016 (Supervisor: Dr. Roger Rousseau and Dr. Vassiliki-Alexander Glezakou). She started to work at Tsinghua University as a postdoctoral research fellow from 2017 to 2019 (Supervisor: Prof. Yadong Li). She joined the Department of Chemistry at Southern University of Science and Technology as Research Assistant Professor in 2019 and was promoted to Research Associate Professor in 2022.

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Her research focused on theoretical studies on the structure, magnetic properties, optical properties and catalytic properties of rare earth molecules, clusters and inorganic materials. Quantum chemistry calculations with electronic structures and chemical bonding analysis methods will be used to investigate the stability, reactivity, thermodynamics and kinetics of clusters and materials.

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1. Q.-L. Wang, C.-Q. Xu,* W. Liu, S.-F. Hung, H.-B. Yang,* J.-J. Gao, W.-Z. Cai, H.-M. Chen, J. Li, B. Liu,* “Coordination Engineering of Iridium Nanocluster Bifunctional Electrocatalyst for Highly Efficient and pH-Universal Overall Water Splitting”, Nat. Commun., 2020, 11, 4246.

2. S. Baskaran, C.-Q. Xu,* Y.-G. Wang, I. L. Garzón, J. Li,* “Catalytic Mechanism and Bonding Analyses of Au-Pd Single Atom Alloy (SAA): CO Oxidation Reaction”, Sci. China Mat., 2020, 63, 993-1002.

3. 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.

4. 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.

5. 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.

6. C.-H. Yao#, C.-Q. Xu#, I.-H. Park, M. Zhao, Z.-Y. Zhu, J. Li, X. Hai, H.-Y. Fang, Y. Zhang, G. Macam, J.-H. Teng, L. Li, C. Chuang, J.-P. Lu, C.-L. Su, J. Li, J. Lu, “Giant Emission Enhancement of Solid-State Gold Nanoclusters by Surface Engineering”, Angew. Chem. Int. Ed., 2020, 59(21), 8270-8276. (#Co-first author)

7. 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.

8. 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.

9. 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.

10. 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.

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