龚学庆



龚学庆 华东理工大学


龚学庆，男，1978年2月出生，理学博士，华东理工大学工业催化研究所、计算化学中心教授，博士生导师，华东理工大学研究生院常务副院长。2000年7月获上海交通大学应用化学专业学士学位。2001-2004年在英国贝尔法斯特女王大学（The Queen’s University of Belfast）化学院攻读博士学位，并于2004年12月获该校物理化学专业理学博士学位。2004年11月-2007年6月在美国普林斯顿大学（Princeton University）化学系从事博士后研究。



龚学庆博士主要从事利用密度泛函理论（DFT）计算进行材料，表面科学以及催化化学等领域的研究工作。2007年6月回国工作以来，已发表SCI论文100余篇，其中与实验合作者一起在Science上发表论文2篇，并在Angew. Chem. Int. Ed上发表论文4篇，J. Am. Chem. Soc.上发表论文3篇，Phys. Rev. Lett.上发表论文3篇, Nature杂志子刊Nature Comm.上发表论文3篇，Science杂志子刊Science Adv.上发表论文1篇。论文SCI他引>2500次，H-index为31。同时，作为项目负责人承担了国家自然科学基金青年基金1项，面上项目2项，上海市青年科技启明星项目及跟踪各1项，高校基本科研业务费专项2项。还作为骨干参与国家“973”项目3项，科技部国际科技合作项目1项，国家重点研发计划项目1项。2010年入选上海市****，2013年入选国家自然基金委“优秀青年科学基金”项目和上海市曙光计划项目，2014年入选国家自然基金委“创新研究群体” ，2015年获上海市青年五四奖章，2016年入选上海市优秀学术带头人项目。

主要学术兼职：
1、上海市稀土学会第六届理事会理事
2、国际氧化物研讨会（IWOX）国际委员会成员
3、太原理工大学 客座教授

近年来代表性论文：
1.Li-Li Yin, Guanzhong Lu, and Xue-Qing Gong*
A DFT+U study on the oxidative chlorination of CH4 at Ceria: the role of HCl
Catalysis Science & Technology 7, 2498-2505 (2017)
2.Rongfang Ma, Xin-Ping Wu, Tao Tong, Zheng-Jiang Shao, Yanqin Wang*, Xiaohui Liu, Qineng Xia,* and Xue-Qing Gong*
The critical role of water in the ring opening of furfural alcohol to 1,2-pentanediol
ACS Catalysis 7, 333-337 (2017)
3.Qiaofei Zhang, Xin-Ping Wu, Yakun Li, Ruijuan Chai, Guofeng Zhao*, Chunzheng Wang, Xue-Qing Gong,*Ye Liu, and Yong Lu*
High-Performance PdNi Nanoalloy Catalyst in Situ Structured on Ni Foam for Catalytic Deoxygenation of Coalbed Methane: Experimental and DFT Studies
ACS Catalysis 6, 6236-6245 (2016)
4.Xin-Ping Wu, and Xue-Qing Gong*
Clustering of Oxygen Vacancies at CeO2(111): The Critical Role of Hydroxyls
Physical Review Letters 116, 086102 (2016)
5.Yihu Dai, Xin-Ping Wu, Yu Tang, Yanhui Yang, Xue-Qing Gong*, and Jie Fan*
Selectivity Switch into Formation of Benzene by Surface Carbonates on Ceria in Catalytic Gas-Phase Oxidation of Benzyl Alcohol
Chemical Communications 52, 2827 (2016)
6.Xue Lu Wang, Wenqing Liu, Yan-Yan Yu, Yanhong Song, Wen Qi Fang, Xue-Qing Gong,* Yefeng Yao,* Hua Gui Yang*
Operando NMR Spectroscopic Analysis of Proton Transfer in Solid-Liquid Phases
Nature Communications 7, 11918 (2016)
7.Xin-Ping Wu, and Xue-Qing Gong*
Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions
Journal of the American Chemical Society 137, 13228-13231 (2015)
8.Qiguang Dai*, Li-Li Yin, Wei Wang, Shuxing Bai, Xingyi Wang, Xue-Qing Gong*, Guanzhong Lu
Catalytic total oxidation of 1,2-dichloroethane over VOx/CeO2 catalysts: Further insights via isotopic tracer techniques
Applied Catalysis B: Environmental 182, 598-610 (2016)
9.Feng Xiong, Yan-Yan Yu, Guanghui Sun, Liangbing Ding, Yuekang Jin,Xue-Qing Gong,* and Weixin Huang*
Methanol conversion into Dimethyl Ether on the Anatase TiO2(001) Surface
Angewandte Chemie International Edition 55, 623-628 (2016)
10.Ya Song, Ji Yang, Xue-Qing Gong*
Prediction of Ir0.5M0.5O2 (M = Cr, Ru or Pb) mixed oxides as active catalysts for oxygen evolution reaction from first-principles calculations
Topics in Catalysis 58, 675-681 (2015)
11.Wei Sun, Ya Song, Xue-Qing Gong*, Li-mei Cao, Ji Yang*
An Efficiently Tuned d-Orbital Occupation of IrO2 by Doping with Cu for Enhancing the Oxygen Evolution Reaction Activity
Chemical Science 6, 4993-4999 (2015)
12.Yan-Yan Yu and Xue-Qing Gong*
Unique adsorption behaviors of carboxylic acids at rutile TiO2(110)
Surface Science 641, 82-90 (2015)
13.Yan-Yan Yu, Xue-Qing Gong*
CO oxidation at rutile TiO2(110): Role of O vacancies and Ti interstitials
ACS Catalysis 5, 2042-2050 (2015)
14.Xin-Ping Wu, Xue-Qing Gong*, Guanzhong Lu*
Role of Oxygen Vacancies in the Surface Evolution of H at CeO2(111): A Charge Modification Effect
Physical Chemistry Chemical Physics 17, 3544-3549 (2015)
15.Li-Li Yin, Xue-Qing Gong*
Influences of Cl substitution on the electronic structures and catalytic activities of Ceria
Science China Chemistry 58, 601-606 (2015)
16.Jin Qu, Shik Chi Edman Tsang,Xue-Qing Gong*
A DFT study on surface dependence of β-Ga2O3 for CO2 hydrogenation to CH3OH
Journal of Molecular Modeling 20, 2543 (2014)
17.Meng Wang, Xin-Ping Wu, Sujuan Zheng, Li Zhao, Lei Li, Li Shen, Yuxian Gao, Nianhua Xue, Xuefeng Guo, Weixin Huang, Zhehong Gan, Frédéric Blanc, Zhiwu Yu, Xiaokang Ke, Weiping Ding, Xue-Qing Gong*, Clare P. Grey* and Luming Peng*
Identification of different oxygen species in oxide nanostructures with 17O solid-state NMR spectroscopy
Science Advances 1, e** (2015)
18.Jie Zhang, Xue-Qing Gong* and Guanzhong Lu*
Catalytic Activities of CeO2(110)–2×1 Reconstructed Surface
Surface Science 632, 164-173 (2015)
19.Shuang Yang, Bing Xing Yang, Long Wu, Yu Hang Li, Porun Liu, Huijun Zhao, Yan Yan Yu, Xue Qing Gong*,Hua Gui Yang*
Titania single crystals with a curved surface
Nature Communications 5, 5355 (2014)
20.Chengwu Yang, Li-Li Yin, Fabian Bebensee, Maria Buchholz, Hikmet Sezen, Stefan Heissler, Jun Chen, Alexei Nefedov, Hicham Idriss, Xue-Qing Gong*and Christof W?ll*
Chemical effects of morphologies and charge distributions at oxygen vacancies: a combined experimental and theoretical study on CeO2 (111)
Physical Chemistry Chemical Physics 16, 24165-24168 (2014) (cover paper)
21.Jian Liu, Bing Liu, Yu Fang, Zhen Zhao*, Yuechang Wei, Xue-Qing Gong*, Chunming Xu, Aijun Duan, Guiyuan Jiang
Preparation, characterization and origin of highly active and thermally stable Pd-Ce0.8Zr0.2O2 catalysts via sol-evaporation induced self-assembly method
Environmental Science & Technology 48, 12403-12410 (2014)
22.Jie Zhang, Xue-Qing Gong*, Guanzhong Lu*
A DFT+U study of NO evolution at reduced CeO2(110)
Physical Chemistry Chemical Physics 16, 16904-16908 (2014)
23.Juanjuan Liu, Xin-Ping Wu, Shihui Zou, Yihu Dai, Liping Xiao,Xue-Qing Gong*, and Jie Fan*
Origin of the Ultra-high Activity of Mesoporous CeO2 Supported Monomeric VOx for Low-temperature Gas-Phase Selective Oxidative Dehydrogenation of Benzyl Alcohol: Role as an Electronic ‘Hole’
The Journal of Physical Chemistry C 118 (43), 24950-24958 (2014)
24.Qi-Neng Xia, Qian Cuan, Xiao-Hui Liu, Xue-Qing Gong*, Guan-Zhong Lu and Yan-Qing Wang*
Pd/NbOPO4 Multifunctional Catalyst for the Direct Production of Liquid Alkanes from Aldol Adducts of Furans
Angewandte Chemie International Edition 53, 9755-9760 (2014)
25.Junguang Tao, Qian Cuan, Sandamali Halpegamage, Rafid Addou, Xue-Qing Gong*, and Matthias Batzill*
Combined Surface Science and DFT Study of the Adsorption of Dinitrotolunen (2,4-DNT) on Rutile TiO2(110): Molecular Scale Insight into Sensing of Explosives
The Journal of Physical Chemistry C 117, 16468-16476 (2013)
26.Fendy Chen, Di Liu, Jie Zhang, P. Hu,Xue-Qing Gong*and Guanzhong Lu*
A DFT+U study of the lattice oxygen reactivity toward direct CO oxidation on the CeO2(111) and (110) surfaces
Physical Chemistry Chemical Physics 14, 16573-16580 (2012)
27.Qian Cuan, Junguang Tao, Xue-Qing Gong*and Matthias Batzill*
Adsorbate induced restructuring of TiO2(011)-2×1 leads to one-dimensional nanocluster formation
Physical Review Letters 108, 106105 (2012)
28.Bo Yang, Xiaoming Cao, Xue-Qing Gong*and P. Hu*
A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2
Physical Chemistry Chemical Physics 14, 3741-3745 (2012)