|
夏广杰 | 研究员
|
|
|
|
xiagj@gbu.edu.cn
|
|
|
南京大学，匡亚明学院理科强化班，学士
香港中文大学, 化学系，博士
|
-
异相催化剂的动态模拟及催化反应的理论研究；显式溶剂水基于机器学习的理论模拟。
-
关键词：密度泛函理论(DFT)、第一性原理分子动力学(AIMD)、界面催化、水溶液、机器学习势(MLIP)。
-
2018.12-2020.12，南方科技大学，化学系，博士后
-
2021.01-2022.11，南方科技大学，化学系，研究助理教授
-
2022.11-至今，大湾区大学（筹），研究员
-
长期从事理论与计算化学研究，在催化剂表界面模拟领域，特别是固液界面催化领域取得了创新成果；
-
近五年以第一作者、共同第一作者及通讯作者发表SCI论文23篇，其中中科院一区16篇，包括Nat. Chem., Nat. Commun., Energy Environ. Sci., Nano Energy, JACS, JACS Au, Angew. Chem. Int. Ed., Chem. Sci.(2), ACS Catal.(2), J Catal.(2)等；
-
主持国家自然科学基金青年基金一项（在研）、广东省基金一项；
-
获深圳市海外高层次人才（孔雀计划）C类。
-
Xia, G.-J.; Fu, Y.; Cao, W.; Li, J.; Wang, Y.-G.* How Interfacial Electron-Donating Defects Influence the Structure and Charge of Gold Nanoparticles on TiO2 Support. Nano Res. 2024, 17, 5965–5974. https://doi.org/10.1007/s12274-024-6625-2.
-
Xie, Y.; Xia, G.-J.*; Gong, W. P.; Zhu, F. L.; Zhao, Z. T.; Wang, Y.-G.* Mechanistic Insight into the Superior Catalytic Activity of Au/Co3O4 Interface in Glucose Sensors. ACS Catal . 2024, 14 (17), 12956–12969. https://doi.org/10.1021/acscatal.4c03419.
-
Cao, W.; Xia, G.-J.*; Yao, Z.; Zeng, K.-H.; Qiao, Y.; Wang, Y.-G.* Aldehyde Hydrogenation by Pt/TiO2 Catalyst in Aqueous Phase: Synergistic Effect of Oxygen Vacancy and Solvent Water. JACS Au 2023, 3 (1), 143–153. https://doi.org/10.1021/jacsau.2c00560
-
Qiao, Y.#; Xia, G.-J.#; Cao, W.; Zeng, K.-H.; Guo, Q.-L.; Yang, X.-F.; Wang, A.-Q.; Wang, Y.-G.* Breaking the C–C Bond of Glucose on Tungsten Oxide-Based Catalysts in Aqueous Phase. J. Catal. 2023, 427, 115114. https://doi.org/10.1016/j.jcat.2023.115114
-
Wang, K.#; Xia, G.-J.#; Liu, T.#; Yun, Y.; Wang, W.; Cao, K.; Yao, F.; Zhao, X.; Yu, B.; Wang, Y.-G.*; Jin, C.; He, J.; Li, Y.; Yang, F.* Anisotropic Growth of One-Dimensional Carbides in Single-Walled Carbon Nanotubes with Strong Interaction for Catalysis.J. Am. Chem. Soc. 2023, 145 (23), 12760–12770. https://doi.org/10.1021/jacs.3c03128
-
Xia, G.-J.; Lee, M.-S.; Glezakou, V.-A.; Rousseau, R.; Wang, Y.-G.* Diffusion and Surface Segregation of Interstitial Ti Defects Induced by Electronic Metal–Support Interactions on a Au/TiO2 Nanocatalyst. ACS Catalysis 2022, 12 (8), 4455–4464. https://doi.org/10.1021/acscatal.2c00159
-
Xia, G.-J.; Wang, Y.-G.* Solvent Promotion on the Metal-Support Interaction and Activity of Pd@ZrO2 Catalyst: Formation of Metal Hydrides as the New Catalytic Active Phase at the Solid-Liquid Interface.Journal of Catalysis 2021, 404, 537–550. https://doi.org/10.1016/j.jcat.2021.10.030
