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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“东方学者”特聘教授,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, e1400133 (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 Wöll*
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)


网页发布时间: 2014-11-19 11:04