成果/Result
- Boosting Interfacial Charge-Transfer Kinetics for Efficient Overall CO2 Photoreduction via Rational Design of Coordination Spheres on Metal-Organic Frameworks被引量：406收藏
- 作者：Fang, Zhi-Bin Liu, Ting-Ting Liu, Junxue Jin, Shengye Wu, Xin-Ping Gong, Xue-Qing Wang, Kecheng Yin, Qi Liu, Tian-Fu Cao, Rong Zhou, Hong-Cai
- 机构：Chinese Acad Sci;Univ Chinese Acad Sci;East China Univ Sci & Technol;Chinese Acad Sci;Chinese Acad Sci
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2020
- 关键词：Carbon dioxide - Carboxylation - Light - Nickel compounds - Charge transfer - Kinetics - Photocatalytic activity - Spheres
- Electrolyte-assisted polarization leading to enhanced charge separation and solar-to-hydrogen conversion efficiency of seawater splitting被引量：175收藏
- 作者：Li, Yiyang Zhou, Hui Cai, Songhua Prabhakaran, Dharmalingam Niu, Wentian Large, Alexander Held, Georg Taylor, Robert A. Wu, Xin-Ping Tsang, Shik Chi Edman
- 机构：Univ Oxford;East China Univ Sci & Technol;Hong Kong Polytech Univ;Univ Oxford;Diamond Light Source Ltd
- 来源：NATURE CATALYSIS 2024
- 关键词：Carrier lifetime - Conversion efficiency - Doping (additives) - Electrolytes - Nitrogen compounds - Polarization - Solar power generation - Titanium dioxide
- An AIE Photosensitizer with Simultaneous Type I and Type II ROS Generation: Efficient Bacterial Elimination and Hypoxic Tumor Ablation被引量：147收藏
- 作者：Wang, Yuwei Liao, Jinghan Lyu, Yanting Guo, Qianqian Zhu, Zhirong Wu, Xupeng Yu, Jiahong Wang, Qi Zhu, Wei-Hong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Jiao Tong Univ
- 来源：ADVANCED FUNCTIONAL MATERIALS 2023
- 关键词：aggregation-induced emission bacterial elimination photodynamic therapy tumor ablation type I photosensitizer
- Qmmm 2023: A Program for Combined Quantum Mechanical and Molecular Mechanical Modeling and Simulations被引量：134收藏
- 作者：Lin, Hai Zhang, Yan Pezeshki, Soroosh Duster, Adam W. Wang, Bo Wu, Xin-Ping Zheng, Shi-Wen Gagliardi, Laura Truhlar, Donald G.
- 机构： Chemistry Department; Department of Chemistry; Centre for Computational Chemistry; Department of Chemistry
- 来源：SSRN 2023
- 关键词：Charge transfer - Gaussian distribution - Geometry - Molecular dynamics - Molecular modeling - Polarization - Quantum theory
- The Critical Role of Water in the Ring Opening of Furfural Alcohol to 1,2-Pentanediol被引量：115收藏
- 作者：Ma, Rongfang Wu, Xin-Ping Tong, Tao Shao, Zheng-Jiang Wang, Yanqin Liu, Xiaohui Xia, Qineng Gong, Xue-Qing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2017
- 关键词：furfural alcohol ring opening pentanediol role of water isotopic tracing experiment
- Methanol Synthesis at a Wide Range of H2/CO2Ratios over a Rh-In Bimetallic Catalyst被引量：94收藏
- 作者：Li, Molly Meng-Jung Zou, Hanbo Zheng, Jianwei Wu, Tai-Sing Chan, Ting-Shan Soo, Yun-Liang Wu, Xin-Ping Gong, Xue-Qing Chen, Tianyi Roy, Kanak Held, Georg Tsang, Shik Chi Edman
- 机构：Univ Oxford;Hong Kong Polytech Univ;Guangzhou Univ;Natl Synchrotron Radiat Res Ctr;Natl Tsing Hua Univ
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2020
- 关键词：bimetallic catalysts carbon dioxide hydrogenation methanol synthesis Rh-In
- Interaction of Hydrogen with Ceria: Hydroxylation, Reduction, and Hydride Formation on the Surface and in the Bulk被引量：92收藏
- 作者：Li, Zhaorui Werner, Kristin Chen, Lu Jia, Aiping Qian, Kun Zhong, Jian-Qiang You, Rui Wu, Lihui Zhang, Liyuan Pan, Haibin Wu, Xin-Ping Gong, Xue-Qing Shaikhutdinov, Shamil Huang, Weixin Freund, Hans-Joachim
- 机构：Univ Sci & Technol China;Univ Sci & Technol China;Max Planck Gesell;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：CHEMISTRY-A EUROPEAN JOURNAL 2021
- 关键词：ceria density functional calculations hydride hydrogenation surface structure
- Pt enhanced C-H bond activation for efficient and low-methane-selectivity hydrogenolysis of polyethylene over alloyed RuPt/ZrO2被引量：85收藏
- 作者：Sun, Chengyang Wang, Jia Wang, Jianjian Shakouri, Mohsen Shi, Bianfang Liu, Xiaohui Guo, Yong Hu, Yongfeng Wu, Xin-Ping Wang, Yanqin
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Chongqing Univ;Canadian Light Source Inc;Sinopec Shanghai Res Inst Petrochem Technol
- 来源：APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY 2024
- 关键词：Plastic waste RuPt alloy catalysts Hydrogenolysis C-H bond activation Internal C-C bond cleavage
- Metal-Free Ceria Catalysis for Selective Hydrogenation of Crotonaldehyde被引量：85收藏
- 作者：Zhang, Zhenhua Wang, Zhi-Qiang Li, Zhaorui Zheng, Wan-Bin Fan, Liping Zhang, Jing Hu, Yi-Ming Luo, Meng-Fei Wu, Xin-Ping Gong, Xue-Qing Huang, Weixin Lu, Ji-Qing
- 机构：Zhejiang Normal Univ;Univ Sci & Technol China;Univ Sci & Technol China;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2020
- 关键词：CeO2 nanocrystals surface oxygen vacancy frustrated Lewis pair sites selective hydrogenation of crotonaldehyde reaction mechanism
- Clustering of Oxygen Vacancies at CeO2(111): Critical Role of Hydroxyls被引量：83收藏
- 作者：Wu, Xin-Ping Gong, Xue-Qing
- 机构：E China Univ Sci & Technol; E China Univ Sci & Technol
- 来源：PHYSICAL REVIEW LETTERS 2016
- 关键词：Scanning tunneling microscopy - Cerium oxide - Density functional theory - Surface defects
- Responses of Defect-Rich Zr-Based Metal-Organic Frameworks toward NH3 Adsorption被引量：80收藏
- 作者：Yoskamtorn, Tatchamapan Zhao, Pu Wu, Xin-Ping Purchase, Kirsty Orlandi, Fabio Manuel, Pascal Taylor, James Li, Yiyang Day, Sarah Ye, Lin Tang, Chiu C. Zhao, Yufei Tsang, S. C. Edman
- 机构：Univ Oxford;Rutherford Appleton Lab;Diamond Light Source Ltd;Beijing Univ Chem Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2021
- 关键词：Density functional theory - Neutron diffraction - Controlled drug delivery - Defects - Organic polymers - Scaffolds (biology) - Targeted drug delivery - Organometallics - Rietveld refinement - Ammonia - Carboxylation
- Identification of different oxygen species in oxide nanostructures with 17O solid-state NMR spectroscopy被引量：76收藏
- 作者：Wang, Meng Wu, Xin-Ping Zheng, Sujuan Zhao, Li Li, Lei Shen, Li Gao, Yuxian Xue, Nianhua Guo, Xuefeng Huang, Weixin Gan, Zhehong Blanc, Frederic Yu, Zhiwu Ke, Xiaokang Ding, Weiping Gong, Xue-Qing Grey, Clare P. Peng, Luming
- 机构：Nanjing Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;Univ Sci & Technol China;Natl High Magnet Field Lab
- 来源：SCIENCE ADVANCES 2015
- 关键词：Cerium oxide - Density functional theory - Nuclear magnetic resonance spectroscopy - Environmental management - Nanomagnetics - Nanostructures - Oxygen vacancies - Electronic properties
- Unique catalytic mechanisms of methanol dehydrogenation at Pd-doped ceria: A DFT+U study被引量：68收藏
- 作者：Chen, Lu Wu, Xin-Ping Gong, Xue-Qing
- 机构： Key Lab. for Adv. Mat. and Jt. Intl. Res. Lab. for Precision Chemistry and Molecular Engineering
- 来源：Journal of Chemical Physics 2022
- 关键词：Surface reactions - Chemical bonds - Methanol - Physicochemical properties - Palladium - Dehydrogenation - Density functional theory
- Construction of triazine-heptazine-based carbon nitride heterojunctions boosts the selective photocatalytic C-C bond cleavage of lignin models被引量：67收藏
- 作者：Zhang, Qingqing Chu, Yi-Chun Liu, Zhulan Hong, Mei Fang, Weiwei Wu, Xin-Ping Gong, Xue-Qing Chen, Zupeng
- 机构：Nanjing Forestry Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY 2023
- 关键词：Crystalline carbon nitride Triazine-heptazine heterojunctions Photocatalysis C -C bond cleavage Lignin valorization
- Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions被引量：51收藏
- 作者：Wu, Xin-Ping Gong, Xue-Qing
- 机构：E China Univ Sci & Technol; E China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2015
- 关键词：Catalyst supports - Catalyst activity - Dehydrogenation - Density functional theory - Oxygen - Catalytic oxidation
- A comparative DFT+U study of CO oxidation on Pd- and Zr-doped ceria被引量：49收藏
- 作者：Chen, Lu Wu, Xinping Gong, Xueqing
- 机构： Key Laboratory for Advanced Materials and Joint International Research Laboratory for Precision Chemistry and Molecular Engineering
- 来源：Journal of Rare Earths 2023
- 关键词：Carbon dioxide - Catalysis - Cerium oxide - Density functional theory - Electron affinity - Oxidation - Palladium - Reaction intermediates - Surface reactions
- Role of Low-Coordinated Ce in Hydride Formation and Selective Hydrogenation Reactions on CeO2 Surfaces被引量：48收藏
- 作者：Wang, Zhi-Qiang Chu, De-Ren Zhou, Hui Wu, Xin-Ping Gong, Xue-Qing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Res Inst Chem Ind Co Ltd
- 来源：ACS CATALYSIS 2022
- 关键词：ceria (CeO2) coordination number hydride (H-) selective hydrogenation density functional theory (DFT)
- Redox Active Polyphenol Nanoparticles Deprive Endogenous GSH of Electrons for ROS Generation and Tumor Chemodynamic Therapy被引量：44收藏
- 作者：Wang, Yifei Wang, Jia Chen, Kangli Jiao, Yunke Chen, Tianhao Wu, Xinping Jiang, Xingwu Bu, Wenbo Liu, Changsheng Qu, Xue
- 机构： Key Laboratory for Ultrafine Materials of Ministry of Education; Department of Materials Science; Key Laboratory for Advanced Materials; Wenzhou Institute of Shanghai University; Shanghai Frontier Science Center of Optogenetic Techniques for Cell Metabolism
- 来源：SSRN 2023
- 关键词：Amines - Drug delivery - Electrons - Nanoparticles - Nanostructured materials - Nitrogen oxides - Quinone - Redox reactions - Tumors
- High-Performance PdNi Nanoalloy Catalyst in Situ Structured on Ni Foam for Catalytic Deoxygenation of Coalbed Methane: Experimental and DFT Studies被引量：43收藏
- 作者：Zhang, Qiaofei Wu, Xin-Ping Li, Yakun Chai, Ruijuan Zhao, Guofeng Wang, Chunzheng Gong, Xue-Qing Liu, Ye Lu, Yong
- 机构：East China Normal Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2016
- 关键词：structured catalyst nanoalloy catalysis foam coalbed methane catalytic combustion reaction kinetics DFT calculations
- Interactions of Oxide Surfaces with Water Revealed with Solid-State NMR Spectroscopy被引量：42收藏
- 作者：Chen, Junchao Hope, Michael A. Lin, Zhiye Wang, Meng Liu, Tao Halat, David M. Wen, Yujie Chen, Teng Ke, Xiaokang Magusin, Pieter C. M. M. Ding, Weiping Xia, Xifeng Wu, Xin-Ping Gong, Xue-Qing Grey, Clare P. Peng, Luming
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Univ Cambridge;Nanjing Univ;Nanjing Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2020
- 关键词：Ions - Nanorods - Molecules - Oxygen - Hydration - Nuclear magnetic resonance spectroscopy - Density functional theory - Light polarization
- Hydrogenolysis Cleavage of the Csp2-Csp3 Bond over a Metal-Free NbOPO4 Catalyst被引量：40收藏
- 作者：Zhou, Hao Chen, Lu Guo, Yong Liu, Xiaohui Wu, Xin-Ping Gong, Xue-Qing Wang, Yanqin
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2022
- 关键词：hydrogenolysis lignin model compound plastic metal free catalyst activation and cleavage of H-2
- UnvEIling the Surface Structure of ZnO Nanorods and H2 Activation Mechanisms with 17O NMR Spectroscopy被引量：40收藏
- 作者：Song, Benteng Li, Yuhong Wu, Xin-Ping Wang, Fang Lin, Ming Sun, Yunhua Jia, Ai-ping Ning, Xiang Jin, Li Ke, Xiaokang Yu, Zhiwu Yang, Gang Hou, Wenhua Ding, Weiping Gong, Xue-Qing Peng, Luming
- 机构：Nanjing Univ;Nanjing Univ;East China Univ Sci & Technol;ASTAR;Zhejiang Normal Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022
- 关键词：Dissociation - Hydrides - II-VI semiconductors - Nanorods - Nuclear magnetic resonance spectroscopy - Surface reactions - Surface structure - Zinc oxide
- Delocalized Orbitals over Metal Clusters and Organic Linkers Enable Boosted Charge Transfer in Metal-Organic Framework for Overall CO2 Photoreduction被引量：38收藏
- 作者：Liu, Hai-Xiong Zhou, Zi-Jian Xie, Lei Liu, Chen Cai, Lei Wu, Xin-Ping Liu, Tian-Fu
- 机构：Chinese Acad Sci;East China Univ Sci & Technol;East China Univ Sci & Technol;Univ Chinese Acad Sci
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2024
- 关键词：metal-organic framework overall CO2 photoreduction internal charge-separated state delocalized orbitals direct charge transfer
- 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"被引量：34收藏
- 作者：Liu, Juanjuan Wu, Xin-Ping Zou, Shihui Dai, Yihu Xiao, Liping Gong, Xue-Qing Fan, Jie
- 机构：Zhejiang Univ;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2014
- 关键词：Dehydrogenation - Gases - Transition metals - Temperature - Molecular oxygen - Density functional theory - Catalyst activity - Transition metal oxides
- Mechanical pressure-mediated Pd active sites formation in NaY zeolite catalysts for indirect oxidative carbonylation of methanol to dimethyl carbonate被引量：32收藏
- 作者：Wang, Chunzheng Xu, Ningkun Liu, Ting-Ting Xu, Weisong Guo, Hailing Li, Yanpeng Bai, Peng Wu, Xin-Ping Gong, Xue-Qing Liu, Xinmei Mintova, Svetlana
- 机构：China Univ Petr East China;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Normandie Univ
- 来源：JOURNAL OF CATALYSIS 2021
- 关键词：Mechanical pressure Active site Palladium NaY Carbonylation Dimethyl carbonate
- Photo-Induced Active Lewis Acid-Base Pairs in a Metal-Organic Framework for H2 Activation被引量：28收藏
- 作者：Ng, Bryan Kit Yue Zhou, Zi-Jian Liu, Ting-Ting Yoskamtorn, Tatchamapan Li, Guangchao Wu, Tai-Sing Soo, Yun-Liang Wu, Xin-Ping Tsang, Shik Chi Edman
- 机构：Univ Oxford;East China Univ Sci & Technol;East China Univ Sci andTechnol;Natl Synchrotron Radiat Res Ctr;Natl Tsing Hua Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2023
- 关键词：Charge transfer - Density functional theory - Organometallics - Ruthenium compounds
- Constructive Transformation of WS2 into Atomically Dispersed W?O Sites Enables Stable Photocatalysis被引量：27收藏
- 作者：Niu, Wentian Li, Yiyang Xu, Zhihang Wang, Yifei Zhou, Zi-Jian Duan, Mengqi Ho, Ping-Luen Zheng, Weiran Pan, Xuelei Wang, Yanjie Fang, Huihuang Taylor, Robert A. Wu, Xin-Ping Zhu, Ye Tsang, Shik Chi Edman
- 机构： Wolfson Catalysis Centre; Department of Applied Physics; School of Materials Science and Engineering; State Key Laboratory of Green Chemical Engineering and Industrial Catalysis; Department of Materials and London Centre for Nanotechnology
- 来源：ACS Catalysis 2026
- 关键词：Catalyst activity - Complexation - Electrocatalysis - Monolayers - Spectroscopic analysis - Sulfur compounds - Tungsten compounds
- Synthetic Leaves Based on Crystalline Olefin-Linked Covalent Organic Frameworks for Efficient CO2 Photoreduction with Water被引量：26收藏
- 作者：Yang, Na Yan, Wenkai Zhou, Zi-Jian Tian, Chengcheng Zhang, Peng Liu, Honglai Wu, Xin-Ping Xia, Chungu Dai, Sheng Zhu, Xiang
- 机构：Chinese Acad Sci;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Oak Ridge Natl Lab
- 来源：NANO LETTERS 2024
- 关键词：Olefin-linked covalentorganic frameworks benzodifurandione-bridgedlinkers CO2 photoreduction with water artificial photosynthetic overall reaction low excitonbinding
- A Cosolvent Electrolyte Boosting Electrochemical Alkynol Semihydrogenation被引量：24收藏
- 作者：Zhao, Yuan Wang, Jia Zha, Xingzhou Sheng, Xuedi Dong, Lei Wu, Xin-Ping Liu, Zhen Jiang, Hongliang Li, Chunzhong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Jiao Tong Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2025
- 关键词：Dissociation - Electrocatalysis - Electrocatalysts - Electrolysis - Electrolytes - Electropolymerization - Reaction rates
- 17O Solid-State NMR Studies of ZrO2 Nanoparticles被引量：22收藏
- 作者：Shen, Li Wu, Xin-Ping Wang, Yang Wang, Meng Chen, Junchao Li, Yuhong Huo, Hua Hou, Wenhua Ding, Weiping Gong, Xue-Qing Peng, Luming
- 机构：Nanjing Univ;Nanjing Univ;Yangzhou Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2019
- 关键词：Light polarization - Nuclear magnetic resonance spectroscopy - Temperature - Zirconia - Density functional theory - Oxygen
