1. High-Throughput Computational Screening of Cerium Metal−Organic Frameworks for the Hydrogenation of Dicyclopentadiene to Tetrahydro-Dicyclopentadiene. Yi-Tao He#, Yuxin Wu#, Zi-Jian Zhou, Xue-Qing Gong*, and Xin-Ping Wu*. Appl. Catal. A: Gen. 723, 121051 (2026)
  2. Intermolecular Interactions Regulating Exciton Behavior in Hydrogen-Bonded Organic Framework for Photocatalytic Aerobic Oxidation. Heng-Yu Wang#, Zhao-Xue Luan#, Lei Cai, Ying Zou, Han-Ru Fang, Lan Li, Xue-Ning Ren, Hai-Xiong Liu*, Xin-Ping Wu*, and Tian-Fu Liu*. Angew. Chem. Int. Ed. 65, e3041027 (2026)
  3. Adaptive Restructuring toward Intrinsically Stable Rh Catalyst during Water−Gas Shift Reaction. Yuanjie Xu#, Yi-Chun Chu#, Run Hou, Hongqiao Lin, Zemin An, Lizhi Wu, Li Tan, Yihu Dai, Xupeng Zong, Zailai Xie, Xin-Ping Wu*, Jiannian Yao*, and Yu Tang*. Angew. Chem. Int. Ed. 65, e5021940 (2026)
  4. A Different Hubbard U Value Should Be Used for the Metal–Oxo Cluster Node in a Metal−Organic Framework Than for Its Extended Phase: A Case Study of Ce-Based Materials. Jia Wang and Xin-Ping Wu*. J. Chem. Phys. 164, 174707 (2026)
  5. CdS Incorporation Induced Gate-Opening in UiO-66-NH2 for Photocatalysis. Qi Li#, Bryan Kit Yue Ng#, Zhao-Xue Luan#, Ping-Luen Baron Ho, Daniel Woodside, Xiyu Zhang, Christopher Foo, Pu Zhao, Tai-Sing Wu, Yun-Liang Soo, Mingjie Li, Xin-Ping Wu*, Guangchao Li*, and Shik Chi Edman Tsang. Chem. Eng. J. 537, 176362 (2026)
  6. Electrochemically Induced Oxide-to-Hydroxide Transformation Enables Fast Proton Transport for Enhanced Hydrogen Evolution. Jiaying Mo, Lingling Zhai, Alex W. Robertson, Chiu C. Tang, Sarah J. Day, Simson Wu, Lu Chen, Tsz Woon Benedict Lo, Molly Meng-Jung Li, Shu Ping Lau, Xin-Ping Wu, Yiyang Li*, and Shik Chi Edman Tsang. Adv. Sci. 13, e75242 (2026)
  7. Active Bridging Hydride Species in ZnO Nanorods Originated from Hydroxyl and Oxygen Vacancy. Benteng Song#, Zhonghan Feng#, Xin-Ping Wu, Ye Gu, Linghai Xie, Qin Zhu*, and Luming Peng*. Nat. Commun. 17, 903 (2026)
  8. Beyond Density: Unveiling the Trade-Off in Catalytic Site Optimization Using Defect-Engineered UiO-66. Guo-Ying Han#, Yi Ji#, Xiang-Yu Li#, Yu Gai, Guo-Zhen Hou, Qin-Yi Cheng, Zhong Zhang, Yiwei Liu, Jia Wang, Pascal Van Der Voort, Guangjin Hou*, Xin-Ping Wu*, Gaohong He*, and Xiao Feng*. Adv. Sci. 12, e10578 (2025)
  9. Structure Sensitivity of Gallium Oxide Catalyzed Propane Dehydrogenation Reaction Co-Fed with Hydrogen. Hantao Peng#, Yi-Chun Chu#, Zeyue Wei#, Aiping Jia, Yunxing Bai, Zhaorui Li, Xuanyu Zhang, Xin-Ping Wu*, and Weixin Huang*. Sci. China Chem. 2025, DOI: 10.1007/s11426-025-2948-8
  10. Near-Surface Hydrogen Species Tune the Selectivity of Chemical Reactions on Metal Oxide Surfaces. Yi-Chun Chu, Weixin Huang*, Xin-Ping Wu*, and Xue-Qing Gong. Precis. Chem. 3, 777−785 (2025)
  11. Sustainable Co-Production of H2 and Lactic Acid from Lignocellulose Photoreforming using Pt-C3N4 Single-Atom Catalyst. Eryu Wang#, Yi-Chun Chu#, Wenjun Zhang, Yanping Wei, Chuanling Si*, Regina Palkovits, Xin-Ping Wu*, and Zupeng Chen*. Chin. J. Catal. 74, 308−318 (2025)
  12. Sulfur Conversion to Donor-Acceptor Ladder Polymer Networks through Mechanochemical Nucleophilic Aromatic Substitution for Efficient CO2 Photoreduction. Na Yang#, Zi-Jian Zhou#, Xiang Zhu*, Jiwei Wu, Yifan Zhang, Tao Wang, Xin-Ping Wu*, Chengcheng Tian*, Xia Jiang, and Sheng Dai*. Angew. Chem. Int. Ed. 64, e202419108 (2025)
  13. A Cosolvent Electrolyte Boosting Electrochemical Alkynol Semihydrogenation. Yuan Zhao#, Jia Wang#, Xingzhou Zha, Xuedi Sheng, Lei Dong, Xin-Ping Wu*, Zhen Liu, Hongliang Jiang*, and Chunzhong Li*. J. Am. Chem. Soc. 147, 1938−1947 (2025)
  14. Level-Shifted Embedded Cluster Method May Offer a Viable Alternative for the Simulation of Metal Oxides. Zi-Jian Zhou and Xin-Ping Wu*. Chin. J. Struct. Chem. 44, 100471 (2025)
  15. Can Subsurface Oxygen Species in Oxides Participate in Catalytic Reactions? An 17O Solid-State Nuclear Magnetic Resonance Study. Changju Yang#, Jia Wang#, Xiaoli Xia, Liping Ding, Yujie Wen, Taotao Zhao, Xiaokang Ke, Xue-Qing Gong, Xin-Ping Wu*, Weiping Ding*, and Luming Peng*. J. Phys. Chem. Lett. 15, 8218−8223 (2024)
  16. Delocalized Orbitals Over Metal Clusters and Organic Linkers Enable Boosted Charge Transfer in Metal-Organic Framework for Overall CO2 Photoreduction. Hai-Xiong Liu#, Zi-Jian Zhou#, Lei Xie#, Chen Liu, Lei Cai, Xin-Ping Wu*, and Tian-Fu Liu*. Angew. Chem. Int. Ed. 63, e202411508 (2024)
  17. Dynamic Evolution and Reversibility of a Single Au25 Nanocluster for the Oxygen Reduction Reaction. Zehui Sun#, Jia Wang#, Lei Su, Zhihao Gu, Xin-Ping Wu*, Wei Chen, and Wei Ma*. J. Am. Chem. Soc. 146, 20059−20068 (2024)
  18. Highly Selective Photocatalytic Synthesis of Acetic Acid at 0-25℃. Xupeng Zong, Yi-Chun Chu, Yu Tang, Yuting Li, Xin-Ping Wu*, Zaicheng Sun*, and Franklin (Feng) Tao*. Angew. Chem. Int. Ed. 63, e202404598 (2024)
  19. Direct Visualisation of Metal–Defect Cooperative Catalysis in Ru-Doped Defective MOF-808. Chirui Xu, William Orbell, Guilian Wang, Boye Li, Bryan K. Y. Ng, Tai-Sing Wu, Yun-Liang Soo, Zhao-Xue Luan, Kangjian Tang, Xin-Ping Wu, S. C. Edman Tsang*, and Pu Zhao*. J. Mater. Chem. A 12, 19018−19028 (2024)
  20. Synthetic Leaves Based on Crystalline Olefin-Linked Covalent Organic Frameworks for Efficient CO2 Photoreduction with Water. Na Yang, Wenkai Yan, Zi-Jian Zhou, Chengcheng Tian*, Peng Zhang, Honglai Liu, Xin-Ping Wu*, Chungu Xia, Sheng Dai*, and Xiang Zhu*. Nano Lett. 24, 5444−5452 (2024)
  21. Pt Enhanced C–H Bond Activation for Efficient and Low-Methane-Selectivity Hydrogenolysis of Polyethylene over Alloyed RuPt/ZrO2. Chengyang Sun#, Jia Wang#, Jianjian Wang, Mohsen Shakouri, Bianfang Shi, Xiaohui Liu, Yong Guo, Yongfeng Hu, Xin-Ping Wu*, and Yanqin Wang*. Appl. Catal. B 353, 124046 (2024)
  22. Enhanced Proximity of Rh1,2-Rhn Ensembles Encaged in UiO-67 Boosting Catalytic Conversion of Syngas to Oxygenates. Jun Yu#,*, Tingting Liu#, Qingqing Gu#, Jia Wang, Ying Han, Gonghui Li, Qiangsheng Guo, Ye Gu, Xinping Wu*, Xueqing Gong, Bing Yang*, and Dongsen Mao*. Angew. Chem. Int. Ed. 63, e202401568 (2024)
  23. Level-Shifted Embedded Cluster Method for Modeling the Chemistry of Metal Oxides. Ming-Yu Yang and Xin-Ping Wu*. J. Chem. Theory Comput. 20, 1386−1397 (2024)
  24. Electrolyte-Assisted Polarization Leading to Enhanced Charge Separation and Solar-to-Hydrogen Conversion Efficiency of Seawater Splitting. Yiyang Li, Hui Zhou, Songhua Cai, Dharmalingam Prabhakaran, Wentian Niu, Alexander Large, Georg Held, Robert A. Taylor, Xin-Ping Wu*, and Shik Chi Edman Tsang*. Nat. Catal. 7, 77−88 (2024)
  25. QMMM 2023: A Program for Combined Quantum Mechanical and Molecular Mechanical Modeling and Simulations. Hai Lin*, Yan Zhang, Soroosh Pezeshki, Adam W. Duster, Bo Wang, Xin-Ping Wu*, Shi-Wen Zheng, Laura Gagliardi, and Donald G. Truhlar*. Comput. Phys. Commun. 295, 108987 (2024)
  26. Redox-Active Polyphenol Nanoparticles Deprive Endogenous Glutathione of Electrons for ROS Generation and Tumor Chemodynamic Therapy. Yifei Wang#, Jia Wang#, Yunke Jiao, Kangli Chen, Tianhao Chen, Xinping Wu*, Xingwu Jiang*, Wenbo Bu, Changsheng Liu, and Xue Qu*. Acta Biomater. 172, 423−440 (2023)
  27. Photo-Induced Active Lewis Acid−Base Pairs in a Metal−Organic Framework for H2 Activation. Bryan Kit Yue Ng, Zi-Jian Zhou, Ting-Ting Liu, Tatchamapan Yoskamtorn, Guangchao Li, Tai-Sing Wu, Yun-Liang Soo, Xin-Ping Wu*, and Shik Chi Edman Tsang*. J. Am. Chem. Soc. 145, 19312−19320 (2023)
  28. Surface Oxygen Vacancy and Hydride Species on Ceria Are Detrimental to Acetylene Semihydrogenation Reaction. Zhaorui Li#, Lu Chen#, Zongfang Wu, AiPing Jia, Shucheng Shi, Hui Zhang, Jia Wang, Zhi Liu, Wei-Peng Shao, Fan Yang, Xin-Ping Wu*, Xue-Qing Gong, and Weixin Huang*. ACS Catal. 13, 5213−5224 (2023)
  29. Construction of Triazine-Heptazine-Based Carbon Nitride Heterojunctions Boosts the Selective Photocatalytic C−C Bond Cleavage of Lignin Models. Qingqing Zhang#, Yi-Chun Chu#, Zhulan Liu, Mei Hong, Weiwei Fang, Xin-Ping Wu*, Xue-Qing Gong, and Zupeng Chen*. Appl. Catal. B 331, 122688 (2023)
  30. Exceptional Hydrogen Diffusion Rate over Ru Nanoparticle-Doped Polar MgO(111) Surface. Tatchamapan Yoskamtorn#, Jiaying Mo#, Lu Chen, Simson Wu, Sanghamitra Mukhopadhyay, Alex Hawkins, Xin-Ping Wu*, and Shik Chi Edman Tsang*
  31. Small Methods 7, 2201200 (2023). Uncovering Structure−Activity Relationships in Pt/CeO2 Catalysts for Hydrogen-Borrowing Amination. 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*. ACS Catal. 13, 1207−1220 (2023)
  32. Unveiling the Surface Structure of ZnO Nanorods and H2 Activation Mechanisms with 17O NMR Spectroscopy. Benteng Song#, Yuhong Li#,*, Xin-Ping Wu#, Fang Wang, Ming Lin, Yunhua Sun, Ai-ping Jia, Xiang Ning, Li Jin, Xiaokang Ke, Zhiwu Yu, Gang Yang, Wenhua Hou, Weiping Ding, Xue-Qing Gong, and Luming Peng*. J. Am. Chem. Soc. 144, 23340−23351 (2022)
  33. Surface Differences of Oxide Nanocrystals Determined by Geometry and Exogenously Coordinated Water Molecules. Junchao Chen#, Xin-Ping Wu#, Michael A. Hope#, Zhiye Lin, Lei Zhu, Yujie Wen, Yixiao Zhang, Tian Qin, Jia Wang, Tao Liu, Xifeng Xia, Di Wu, Xue-Qing Gong, Weiping Tang, Weiping Ding, Xi Liu, Liwei Chen, Clare P. Grey, and Luming Peng*. Chem. Sci. 13, 11083−11090 (2022)
  34. Hydride Generation on the Cu-Doped CeO2(111) Surface and Its Role in CO2 Hydrogenation Reactions. Zhi-Qiang Wang#, Hui-Hui Liu#, Xin-Ping Wu*, Peijun Hu, and Xue-Qing Gong*. Catalysts 12, 963 (2022)
  35. Substituent Effects on the Photocatalytic Properties of A Symmetric Covalent Organic Framework. Ting-Ting Liu, Xin-Ping Wu*, and Xue-Qing Gong*. Chin. J. Chem. Phys. 35, 647−654 (2022)
  36. A Comparative DFT+U Study of CO Oxidation on Pd- and Zr-Doped Ceria. Lu Chen, Xinping Wu, and Xueqing Gong*. J. Rare Earths 41, 1042−1048 (2023)
  37. Structural Shrinking and Rotation Decrease Quasi Surface Tension for Polar CeO2(100). Hui Zhou, Xin-Ping Wu*, and Xue-Qing Gong*. Adv. Theory Simul. 5, 2200081 (2022)
  38. Hydrogenolysis Cleavage of the Csp2–Csp3 Bond over a Metal-Free NbOPO4 Catalyst. Hao Zhou#, Lu Chen#, Yong Guo*, Xiaohui Liu, Xin-Ping Wu*, Xue-Qing Gong, and Yanqin Wang*. ACS Catal. 12, 4806−4812 (2022)
  39. Unique Catalytic Mechanisms of Methanol Dehydrogenation at Pd-Doped Ceria: A DFT+U Study. Lu Chen, Xin-Ping Wu*, and Xue-Qing Gong*. J. Chem. Phys. 156, 134701 (2022)
  40. Synthesis of α-Aryl Primary Amides from α-Silyl Nitriles and Aryl Sulfoxides through [3,3]-Sigmatropic Rearrangement. Fan Luo, Hui Zhou, Xiao-Bei Chen*, Xue-Jun Liu, Xiao-Dong Chen, Peng-Fei Qian, Xin-Ping Wu*, Wei Wang*, and Shi-Lei Zhang*. Org. Lett. 24, 1700−1705 (2022)
  41. Identification of CO2 Adsorption Sites on MgO Nanosheets by Solid-State Nuclear Magnetic Resonance Spectroscopy. Jia-Huan Du, Lu Chen, Bing Zhang, Kuizhi Chen, Meng Wang, Yang Wang, Ivan Hung, Zhehong Gan, Xin-Ping Wu, Xue-Qing Gong, and Luming Peng*. Nat. Commun. 13, 707 (2022)
  42. Role of Low-Coordinated Ce in Hydride Formation and Selective Hydrogenation Reactions on CeO2 Surfaces. Zhi-Qiang Wang#, De-Ren Chu#, Hui Zhou, Xin-Ping Wu*, and Xue-Qing Gong*. ACS Catal. 12, 624−632 (2022)
  43. Catalytic Activities of Low-Coordinated Ce for Methane Conversion. Hui Zhou, Xin-Ping Wu*, and Xue-Qing Gong*. ChemCatChem 14, e202101254 (2022)
  44. Importance of Lattice Constants in QM/MM Calculations on Metal−Organic Frameworks. Bo Yang*, Xin-Ping Wu, Laura Gagliardi*, and Donald G. Truhlar*. J. Phys. Chem. B 125, 5786−5793 (2021)
  45. Metal Substitution in the Metalloporphyrin Linker of Metal−Organic Framework PCN-601 for Photocatalytic CO2 Reduction (invited article, part of a focus issue of Journal of Physics: Energy— “Focus on Metal−Organic Frameworks for Photocatalysis: Experiment and Theory”). Ting-Ting Liu, Xin-Ping Wu*, and Xue-Qing Gong*. J. Phys. Energy 3, 034016 (2021)
  46. Mechanical Pressure-Mediated Pd Active Sites Formation in NaY Zeolite Catalysts for Indirect Oxidative Carbonylation of Methanol to Dimethyl Carbonate. Chunzheng Wang, Ningkun Xu, Ting-Ting Liu, Weisong Xu, Hailing Guo, Yanpeng Li, Peng Bai, Xin-Ping Wu*, Xue-Qing Gong, Xinmei Liu*, and Svetlana Mintova*. J. Catal. 396, 269−280 (2021)
  47. Responses of Defect-Rich Zr-Based Metal−Organic Frameworks toward NH3 Adsorption. Tatchamapan Yoskamtorn#, Pu Zhao#, Xin-Ping Wu*, Kirsty Purchase, Fabio Orlandi, Pascal Manuel, James Taylor, Yiyang Li, Sarah Day, Lin Ye, Chiu C. Tang, Yufei Zhao, and S. C. Edman Tsang*. J. Am. Chem. Soc. 143, 3205−3218 (2021)
  48. Modulating Photoinduced Charge Separation in Metal−Azolate Frameworks. Ting-Ting Liu, Tian-Fu Liu, Xin-Ping Wu*, and Xue-Qing Gong*. J. Phys. Chem. C 125, 2064−2073 (2021)
  49. Interaction of Hydrogen with Ceria: Hydroxylation, Reduction, and Hydride Formation on the Surface and in the Bulk. Zhaorui Li#, Kristin Werner#, Lu Chen#, Aiping Jia, Kun Qian, Jian-Qiang Zhong, Rui You, Lihui Wu, Liyuan Zhang, Haibin Pan, Xin-Ping Wu*, Xue-Qing Gong, Shamil Shaikhutdinov*, Weixin Huang*, and Hans-Joachim Freund. Chem. Eur. J. 27, 5268−5276 (2021)
  50. Metal-Free Ceria Catalysis for Selective Hydrogenation of Crotonaldehyde. 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*. ACS Catal. 10, 14560−14566 (2020)
  51. Boosting Interfacial Charge-Transfer Kinetics for Efficient Overall CO2 Photoreduction via Rational Design of Coordination Spheres on Metal−Organic Frameworks. Zhi-Bin Fang, Ting-Ting Liu, Junxue Liu, Shengye Jin, Xin-Ping Wu, Xue-Qing Gong, Kecheng Wang, Qi Yin, Tian-Fu Liu, Rong Cao*, and Hong-Cai Zhou. J. Am. Chem. Soc. 142, 12515−12523 (2020)
  52. Interactions of Oxide Surfaces with Water Revealed with Solid-State NMR Spectroscopy. Junchao Chen#, Michael A. Hope#, Zhiye Lin, Meng Wang, Tao Liu, David M. Halat, Yujie Wen, Teng Chen, Xiaokang Ke, Pieter C. M. M. Magusin, Weiping Ding, Xifeng Xia, Xin-Ping Wu*, Xue-Qing Gong, Clare P. Grey*, and Luming Peng*. J. Am. Chem. Soc. 142, 11173−11182 (2020)
  53. Methanol Synthesis at a Wide Range of H2/CO2 Ratios over a Rh-In Bimetallic Catalyst. Yun-Liang Soo, Xin-Ping Wu, Xue-Qing Gong, Tianyi Chen, Kanak Roy, Georg Held, and Shik Chi Edman Tsang*. Angew. Chem. Int. Ed. 59, 16039−16046 (2020)
  54. NMR and EPR Studies of Partially Reduced TiO2. Yuhong Li, Xin-Ping Wu, Cong Liu, Meng Wang, Benteng Song, Guiyun Yu, Gang Yang, Wenhua Hou, Xue-Qing Gong, and Luming Peng*. Acta Phys. -Chim. Sin. 36, 1905021 (2020)
  55. Polar Surface Structure of Oxide Nanocrystals Revealed with Solid-State NMR Spectroscopy. Junchao Chen#, Xin-Ping Wu#,*, Michael A. Hope#, Kun Qian, David M. Halat, Tao Liu, Yuhong Li, Li Shen, Xiaokang Ke, Yujie Wen, Jia-Huan Du, Pieter C. M. M. Magusin, Subhradip Paul, Weiping Ding, Xue-Qing Gong, Clare P. Grey*, and Luming Peng*. Nat. Commun. 10, 5420 (2019)
  56. Computational Studies of Photocatalysis with Metal−Organic Frameworks (part of a special issue of Energy & Environmental Materials on “Advances in Theoretical Methodologies and Computational Modeling”). Xin-Ping Wu*, Indrani Choudhuri, and Donald G. Truhlar*. Energy Environ. Mater. 2, 251−263 (2019)
  57. Methane Functionalization by an Ir(III) Catalyst Supported on a Metal−Organic Framework: An Alternative Explanation of Steric Confinement Effects. Bo Yang*, Xin-Ping Wu, Laura Gagliardi*, and Donald G. Truhlar*. Theor. Chem. Acc. 138, 107 (2019)
  58. Multilink F* Method for Combined Quantum Mechanical and Molecular Mechanical Calculations of Complex Systems. Xin-Ping Wu*, Laura Gagliardi, and Donald G. Truhlar*. J. Chem. Theory Comput. 15, 4208−4217 (2019)
  59. 17O Solid-State NMR Studies of ZrO2 Nanoparticles. Li Shen#, Xin-Ping Wu#, Yang Wang, Meng Wang, Junchao Chen, Yuhong Li, Hua Huo, Wenhua Hou, Weiping Ding, Xue-Qing Gong, and Luming Peng*. J. Phys. Chem. C 123, 4158−4167 (2019)
  60. Metal Doping in Cerium Metal−Organic Frameworks for Visible-Response Water Splitting Photocatalysts (part of a special topic of The Journal of Chemical Physics on “Interfacial Electrochemistry and Photo(electro)catalysis”). Xin-Ping Wu*, Laura Gagliardi*, and Donald G. Truhlar*. J. Chem. Phys. 150, 041701 (2019)
  61. Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms (part of a thematic issue of Molecules on “Combined Quantum Mechanical and Molecular Mechanical Methods and Simulations”). Xin-Ping Wu*, Laura Gagliardi*, and Donald G. Truhlar*. Molecules 23, 1309/1−12 (2018)
  62. Cerium Metal−Organic Framework for Photocatalysis. Xin-Ping Wu*, Laura Gagliardi*, and Donald G. Truhlar*. J. Am. Chem. Soc. 140, 7904−7912 (2018)
  63. Combined Quantum Mechanical and Molecular Mechanical Method for Metal−Organic Frameworks: Proton Topologies of NU-1000. Xin-Ping Wu, Laura Gagliardi*, and Donald G. Truhlar*. Phys. Chem. Chem. Phys. 20, 1778−1786 (2018)
  64. Distinguishing Faceted Oxide Nanocrystals with 17O Solid-State NMR Spectroscopy. 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*. Nat. Commun. 8, 581 (2017)
  65. The Critical Role of Water in the Ring Opening of Furfural Alcohol to 1,2-Pentanediol. Rongfang Ma#, Xin-Ping Wu#, Tao Tong, Zheng-Jiang Shao, Yanqin Wang*, Xiaohui Liu, Qineng Xia*, and Xue-Qing Gong*. ACS Catal. 7, 333−337 (2017)
  66. Reply to Comment on “Clustering of Oxygen Vacancies at CeO2(111): Critical Role of Hydroxyls”. Xin-Ping Wu and Xue-Qing Gong*. Phys. Rev. Lett. 117, 279602 (2016)
  67. A Promising Low Pressure Methanol Synthesis Route from CO2 Hydrogenation over Pd@Zn Core–Shell Catalysts. Fenglin Liao, Xin-Ping Wu, Jianwei Zheng, Molly Meng-Jung Li, Anna Kroner, Ziyan Zeng, Xinlin Hong, Youzhu Yuan, Xue-Qing Gong*, and Shik Chi Edman Tsang*. Green Chem. 19, 270−280 (2017)
  68. Pd@Zn Core–Shell Nanoparticles of Controllable Shell Thickness for Catalytic Methanol Production. Fenglin Liao#, Xin-Ping Wu#, Jianwei Zheng, Meng-Jung Li, Ziyan Zeng, Xinling Hong, Anna Kroner, Youzhu Yuan, Xue-Qing Gong, and Shik Chi Edman Tsang*. Catal. Sci. Technol. 6, 7698−7702 (2016)
  69. High-Performance PdNi Nanoalloy Catalyst in situ Structured on Ni Foam for Catalytic Deoxygenation of Coalbed Methane: Experimental and DFT Studies. Qiaofei Zhang#, Xin-Ping Wu#, Yakun Li, Ruijuan Chai, Guofeng Zhao*, Chunzheng Wang, Xue-Qing Gong*, Ye Liu, and Yong Lu*. ACS Catal. 6, 6236−6245 (2016)
  70. Clustering of Oxygen Vacancies at CeO2(111): Critical Role of Hydroxyls. Xin-Ping Wu and Xue-Qing Gong*. Phys. Rev. Lett. 116, 086102 (2016)
  71. Selectivity Switching Resulting in the Formation of Benzene by Surface Carbonates on Ceria in Catalytic Gas-Phase Oxidation of Benzyl Alcohol. Yihu Dai#, Xin-Ping Wu#, Yu Tang, Yanhui Yang, Xue-Qing Gong*, and Jie Fan*. Chem. Commun. 52, 2827−2830 (2016)
  72. Identification of Different Tin Species in SnO2 Nanosheets with 119Sn Solid-State NMR Spectroscopy. Junchao Chen#, Xin-Ping Wu#, Li Shen, Yuhong Li, Di Wu, Weiping Ding, Xue-Qing Gong*, Ming Lin*, and Luming Peng*. Chem. Phys. Lett. 643, 126−130 (2016)
  73. Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions. Xin-Ping Wu and Xue-Qing Gong*. J. Am. Chem. Soc. 137, 13228−13231 (2015)
  74. High-Performance PdNi Alloy Structured in situ on Monolithic Metal Foam for Coalbed Methane Deoxygenation via Catalytic Combustion. Qiaofei Zhang#, Xin-Ping Wu#, Guofeng Zhao, Yakun Li, Chunzheng Wang, Ye Liu, Xue-Qing Gong*, and Yong Lu*. Chem. Commun. 51, 12613−12616 (2015)
  75. Theoretical Studies on the Monomeric Vanadium Oxides Supported by Ceria: The Atomic Structures and Oxidative Dehydrogenation Activities. Xin-Ping Wu, Juanjuan Liu, Jie Fan, and Xue-Qing Gong*. RSC Adv. 5, 52259−52263 (2015)
  76. Tailoring Nano-Catalysts: Turning Gold Nanoparticles on Bulk Metal Oxides to Inverse Nano-Metal Oxides on Large Gold Particles. Guofeng Zhao, Xin-Ping Wu, Ruijuan Chai, Qiaofei Zhang, Xue-Qing Gong, Jun Huang*, and Yong Lu*. Chem. Commun. 51, 5975−5978 (2015)
  77. Identification of Different Oxygen Species in Oxide Nanostructures with 17O Solid-State NMR Spectroscopy. 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*. Sci. Adv. 1, e1400133 (2015)
  78. Role of Oxygen Vacancies in the Surface Evolution of H at CeO2(111): A Charge Modification Effect. Xin-Ping Wu, Xue-Qing Gong*, and Guanzhong Lu*. Phys. Chem. Chem. Phys. 17, 3544−3549 (2015)
  79. Origin of the High Activity of Mesoporous CeO2 Supported Monomeric VOx for Low-Temperature Gas-Phase Selective Oxidative Dehydrogenation of Benzyl Alcohol: Role as an Electronic “Hole”. Juanjuan Liu#, Xin-Ping Wu#, Shihui Zou, Yihu Dai, Liping Xiao, Xue-Qing Gong*, and Jie Fan*. J. Phys. Chem. C 118, 24950−24958 (2014)

* :Corresponding author

#:Co-first author