龚学庆 |
龚学庆,教授,博士生导师 电话:021-64251101 电子邮件:xgong@ecust.edu.cn 办公室地址:徐汇校区实验十四楼305
研究方向:理论催化,计算化学,人工智能方法 招生专业:工业催化(学术学位),材料与化工(专业学位)
2007.11-今 华东理工大学化学与分子工程工程学院,教授,博士生导师 2004.11-2007.11 美国普林斯顿大学化学系,博士后 2001.11-2004.11 英国贝尔法斯特女王大学,物理化学专业,研究生,理学博士 1996.09-2000.07 上海交通大学化学化工学院,应用化学专业,本科生,工学学士
2019年获教育部高等学校科学研究优秀成果奖二等奖 2018年获国家杰出青年科学基金 2017年入选上海市优秀学术带头人 2015年获上海市青年五四奖章 2013年获国家优秀青年科学基金 2013年入选上海市曙光学者 2010年入选上海高校特聘教授(东方学者) 2009年入选上海市青年科技启明星计划
龚学庆博士主要利用密度泛函理论(DFT)计算进行催化化学、材料、表面科学等领域的研究工作,系统阐述了稀土二氧化铈催化材料的活性机制,揭示了其作为催化反应电子和氧储存器的行为模式和结构特征,发展了多相催化材料表面重构和吸附、迁移等基本表面过程的动力学及热力学理论,改进了用于表面结构及反应研究的高效智能算法。2007年独立开展科研工作以来,已在Science、Angew. Chem. Int. Ed、J. Am. Chem. Soc.、Phys. Rev. Lett.、Nature Comm.、Science Adv.等国内外期刊发表SCI论文220余篇,他引8000余次,H-index为55。作为负责人承担青年、面上、优青、杰青等国家自然科学基金各类项目5项,科技部重点专项项目1项(课题负责人)。指导毕业硕士、博士研究生30余人。
近期代表性论著: 1. Zhi-Qiang Wang, De-Ren Chu, Hui Zhou, Xin-Ping Wu*, and Xue-Qing Gong* Role of Low-Coordinated Ce in Hydride Formation and Selective Hydrogenation Reactions on CeO2 Surfaces ACS Catalysis 12, 624-632 (2022) 2. Cong Fu, Fei Li, Jiachen Zhang, Dan Li, Kun Qian, Yong Liu, Junwang Tang, Fengtao Fan, Qun Zhang*, Xue-Qing Gong*, and Weixin Huang* Site Sensitivity of Interfacial Charge Transfer and Photocatalytic Efficiency in Photocatalysis: Methanol Oxidation on Anatase TiO2 Nanocrystals Angewandte Chemie International Edition 60, 6160-6169 (2021) 3. Shaopeng Li, Minghua Dong, Junjuan Yang, Xiaomeng Cheng, Xaojun Shen, Shulin Liu, Zhi-Qiang Wang*, Xue-Qing Gong*, Huizhen Liu* and Buxing Han* Selective hydrogenation of 5-(hydroxymethyl) furfural to 5-methylfurfural over single atomic metals anchored on Nb2O5 Nature Communications 12, 584 (2021) 4. Zhenhua Zhang*, Zhi-Qiang Wang, Zhaorui Li, Wan-Bin Zheng, Liping Fan, Jing Zhang, Yi-Ming Hu, Meng-Fei Luo, Xin-Ping Wu, Xue-Qing Gong*, Weixin Huang*, and Ji-Qing Lu* Metal-Free Ceria Catalysis for Selective Hydrogenation of Crotonaldehyde ACS Catalysis 10 (24), 14560-14566 (2020) 5. Hui Zhou, Dong Wang* and Xue-Qing Gong* Clarifying the Impacts of Surface Hydroxyls on CO Oxidation on the CeO2(100) Surfaces: A DFT+U Study Physical Chemistry Chemical Physics 22, 7738 (2020) 2020 PCCP HOT Articles 6. Ting Nie and Xue-Qing Gong* A Theoretical Study of Twinning Boundaries in Twinned Gold Nanorod using Evolutionary Algorithms Aided Computational Simulations The Journal of Physical Chemistry C 123 (51), 31103-31107 (2019) 7. Zhi-Qiang Wang, Dong Wang and Xue-Qing Gong* Strategies to Improve the Activity While Maintaining the Selectivity of Oxidative Coupling of Methane at La2O3: A Density Functional Theory Study ACS Catalysis 10 (1), 586-594 (2020) 8. Yuheng Zhou, Yihan Zhu, Zhi-Qiang Wang, Shihui Zou*, Guicen Ma, Ming Xia, Xueqian Kong, Liping Xiao, Xue-Qing Gong*, Jie Fan* Catalytic Activity Control via Crossover between Two Different Microstructures Journal of the American Chemical Society 139, 13740-13748 (2017) 9. Yuhong Li, Xin-Ping Wu, Ningxin Jiang, Ming Lin, Li Shen, Haicheng Sun, Yongzheng Wang, Meng Wang, Xiaokang Ke, Zhiwu Yu, Fei Gao, Lin Dong, Xuefeng Guo, Wenhua Hou, Weiping Ding, Xue-Qing Gong*, Clare P. Grey and Luming Peng* Distinguishing Faceted Oxide Nanocrystals with 17O Solid-State NMR Spectroscopy Nature Communications 8, 581 (2017)
10. 专著:Computational Simulation of Trapped Charge Carriers in TiO2 and Their Impacts on Photocatalytic Water Splitting,作者:Dong Wang, Fei Li, Jian-Fu Chen, Hai-Feng Wang, Xiao-Ming Cao, Peijun Hu, and Xue-Qing Gong*出版社:ACS Publications,出版日期:2019.12.11,书号(ISBN):9780841235540
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