近期论文
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After SJTU
1. Xian-Yang Zhang and Xue-Qing Gong* Comprehensive and Explainable Fragmentation: A Machine Learning Approach for Fast and Accurate Mass Spectrum Prediction The Journal of Physical Chemistry A 129, 3552-3559 (2025)
2. Zi-Yi Guo, Cui-Rong Chen, Kai C Szeto, Mostafa Taoufik, Zhi-Qiang Wang*, and Xue-Qing Gong* Oxygen and Electron Storage Effects in W-Modified Ceria Catalysts for Ammonia Conversion Small 20, 2406818 (2024)
3. Dong-Zhi Li and Xue-Qing Gong* Challenges with Literature-Derived Data in Machine Learning for Yield Prediction: A Case Study on Pd-Catalyzed Carbonylation Reactions The Journal of Physical Chemistry A 128, 10423-10430 (2024)
4. Longtao Zhang, Mingliang Zhang, Yu Zhang, Wei Zuo, Tong Chen, Yilin Fang, Jiaxiang Hong, Hehe Wei*, and Xue-Qing Gong* Construction of Ultrafine PtIr Clusters Supported on Co3O4 Nanoflowers for Enhanced Overall Water Splitting Chemistry-A European Journal 30, e202400329 (2024)
5. Xian-Yang Zhang, Zhi-Qiang Wang,* and Xue-Qing Gong* Theoretical Insights into the Generation and Reactivity of Hydride on ZnO(10-10) Surface Chemical Science 15, 13717-13726 (2024)
6. Longxia Wu, Zongfang Wu, Fei Li*, Zhengming Wang, Zhen Zhang, Xue-Qing Gong*, and Weixin Huang* Surface Reconstruction-Induced Photocatalytic Methanol Reduction Reaction on a Rutile TiO2(001) Surface The Journal of Physical Chemistry Letters 15, 8481-8486 (2024)
Befor SJTU
1. Zeyu Zhou, Lu Chen, Luyao Wang, Yun Liu, Peihong Cheng, Hongru Peng, Jun Cai, Qin Zhou, Yifan Wang, Nan Yang, Beibei Wang*, Xue-Qing Gong*, Fan Yang*, and Zhi Liu* Selective Hydrogenation of Propyne to Propene Promoted by Synergistic Effect of Surface Oxygen Vacancies and Hydride Species on Ceria ACS Catalysis 13, 9588-9596 (2023)
2. Hui Zhou, Dong Wang and Xue-Qing Gong* Enhanced Stability of Hydride in Ceria/Copper Composite Catalysts The Journal of Physical Chemistry C 127, 11040-11045 (2023)
3. Bin Shao, Zhi-Qiang Wang, Xue-Qing Gong*, Honglai Liu, Feng Qian, P. Hu & Jun Hu* Synergistic promotions between CO2 capture and in-siu conversion on Ni-CaO composite catalyst Nature Communications 14, 996 (2023)
4. Tao Tong, Mark Douthwaite*, Lu Chen, Rebecca Engel, Matthew B. Conway, Wanjun Guo, Xin-Ping Wu, Xue-Qing Gong*, Yanqin Wang*, David J. Morgan, Thomas Davies, Christopher J. Kiely, Liwei Chen, Xi Liu*, and Graham J. Hutchings* Uncovering Structure-Activity Relationships in Pt/CeO2 Catalysts for Hydrogen-Borrowing Amination ACS Catalysis 13, 1207-1220 (2023)
5. Jinhong Jia, Jingjiang Liu, Zhi-Qiang Wang, Tao Liu, Peiyao Yan, Xue-Qing Gong,* Chengxi Zhao, Linjiang Chen, Congcong Miao, Wei Zhao, Shanshan Cai, Xi-Cun Wang, Andrew I. Cooper,* Xiaofeng Wu,* Tom Hasell,* Zheng-Jun Quan* Photoinduced inverse vulcanization Nature Chemistry 14, 1249-1257 (2022)
6. Cong Fu, Fei Li, Jianlong Yang, Jijia Xie, Yunshang Zhang, Xiao Sun, Xusheng Zheng, Yuanxu Liu, Junfa Zhu, Junwang Tang*, Xue-Qing Gong*, and Weixin Huang* Spontaneous Bulk-Surface Charge Separation of TiO2-{001} Nanocrystals Leads to High Activity in Photocatalytic Methane Combustion ACS Catalysis 12, 6457-6463 (2022)
7. Shuang Xiang, Lin Dong, Zhi-Qiang Wang, Xue Han, Luke Daemen, Jiong Li, Yongqiang Cheng, Yong Guo, Xiaohui Liu, Yongfeng Hu, Anibal Ramirez-Cuesta, Sihai Yang*, Xue-Qing Gong*, and Yanqin Wang* A Unique Co@CoO Catalyst for Hydrogenolysis of Biomass-derived 5-Hydroxymethylfurfural to 2,5-Dimethylfuran Nature Communications 13, 3657 (2022)
8. Hui Zhou, Xin-Ping Wu* and Xue-Qing Gong* Structural Shrinking and Rotation Decrease Quasi Surface Tension for Polar CeO2(100) Advanced Theory and Simulations 5, 2200081 (2022)
9. 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)
10. 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)
11. 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)
12. 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)
13. 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)
14. 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)
15. 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)
16. 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)
17. 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)
18. 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)
19. 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)
20. 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)
21. 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)
22. 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)
23. Karaked Tedsree, Chun Wong Aaron Chan, Simon Jones, Qian Cuan, Wei-Kun Li, Xue-Qing Gong, Shik Chi Edman Tsang* C-13 NMR Guides Rational Design of Nanocatalysts via Chemisorption Evaluation in Liquid Phase Science 332, 224-228 (2011)
24. Shao-Chun Li*, Li-Na Chu, Xue-Qing Gong and Ulrike Diebold* Hydrogen Bonding Controls the Dynamics of Catechol Adsorbed on a TiO2(110) Surface Science 328, 882-884 (2010)
25. Tim Luttrell, Wei-Kun Li, Xue-Qing Gong*, Matthias Batzill* New directions for atomic steps: Step alignment by grazing incident ion beams on TiO2(110) Physical Review Letters 102, 166103 (2009)
26. Xue-Qing Gong*, Annabella Selloni, Olga Dulub, Peter Jacobson and Ulrike Diebold* Small Au and Pt Clusters at the Anatase TiO2(101) Surface: Behavior at Terraces, Steps, and Surface Oxygen Vacancies Journal of the American Chemical Society 130, 370-381 (2008)
27. Xue-Qing Gong, Annabella Selloni*, Matthias Batzill and Ulrike Diebold* Steps on anatase TiO2(101) Nature Materials 5, 665 (2006)
28. Xue-Qing Gong, R. Raval and P. Hu* General insight into CO oxidation: A density functional theory study of the reaction mechanism on platinum oxides Physical Review Letters 93, 106104 (2004)
29. Xue-Qing Gong, Zhi-Pan Liu, Rasmita Raval and P. Hu* A systemic study of CO oxidation on metals and metal oxides: Density functional theory calculations Journal of the American Chemical Society 126, 8 (2004)
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