成果/Result
- 2D Monolayer MoS2-Carbon Interoverlapped Superstructure: Engineering Ideal Atomic Interface for Lithium Ion Storage被引量：519收藏
- 作者：Jiang, Hao Ren, Dayong Wang, Haifeng Hu, Yanjie Guo, Shaojun Yuan, Haiyang Hu, Peijun Zhang, Ling Li, Chunzhong
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;Los Alamos Natl Lab;Queens Univ Belfast
- 来源：ADVANCED MATERIALS 2015
- 关键词：Carbon - Ions - Layered semiconductors - Nanosheets - Lithium-ion batteries
- Hydrogen Spillover-Bridged Volmer/Tafel Processes EnablingAmpere-Level Current Density Alkaline Hydrogen EvolutionReaction under Low Overpotential被引量：376收藏
- 作者：Fu, Huai Qin Zhou, Min Liu, Peng Fei Liu, Porun Yin, Huajie Sun, Kai Zhi Yang, Hua Gui Al-Mamun, Mohammad Hu, Peijun Wang, Hai-Feng Zhao, Huijun
- 机构：Griffith Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022
- 关键词：Electrolysis - Dissociation - Nickel compounds - Desorption - Hydrogen production - Chromium compounds - Electrolytes - Electrocatalysts - Potassium hydroxide
- Towards the Circular Economy: Converting Aromatic Plastic Waste Back to Arenes over a Ru/Nb2O5 Catalyst被引量：362收藏
- 作者：Jing, Yaxuan Wang, Yanqin Furukawa, Shinya Xia, Jie Sun, Chengyang Hulsey, Max J. Wang, Haifeng Guo, Yong Liu, Xiaohui Yan, Ning
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Natl Univ Singapore;Hokkaido Univ;Kyoto Univ
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2021
- 关键词：arenes circular economy C-O C-C cleavage plastic Ru Nb2O5
- Identifying the key obstacle in photocatalytic oxygen evolution on rutile TiO2被引量：279收藏
- 作者：Wang, Dong Sheng, Tian Chen, Jianfu Wang, Hai-Feng Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：NATURE CATALYSIS 2018
- 关键词：Oxide minerals - Oxygen - Catalyst activity - Efficiency
- Selective Deposition of Ag3PO4 on Monoclinic BiVO4(040) for Highly Efficient Photocatalysis被引量：241收藏
- 作者：Li, Changjiang Zhang, Peng Lv, Rui Lu, Jianwei Wang, Tuo Wang, Shengping Wang, Haifeng Gong, Jinlong
- 机构：Tianjin Univ;E China Univ Sci & Technol
- 来源：SMALL 2013
- 关键词：Bismuth compounds - Photocatalysts - Bismuth - Phosphorus compounds - Light - Photocatalysis - Silver compounds - Vanadium compounds
- Highly Ethylene-Selective Electrocatalytic CO2 Reduction Enabled by Isolated Cu-S Motifs in Metal-Organic Framework Based Precatalysts被引量：200收藏
- 作者：Wen, Chun Fang Zhou, Min Liu, Peng Fei Liu, Yuanwei Wu, Xuefeng Mao, Fangxin Dai, Sheng Xu, Beibei Wang, Xue Lu Jiang, Zheng Hu, P. Yang, Shuang Wang, Hai Feng Yang, Hua Gui
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Normal Univ
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022
- 关键词：CO2 reduction reaction electrocatalysis Cu-S species metal-organic frameworks operando XAFS
- Crystal Structural Effect of AuCu Alloy Nanoparticles on Catalytic CO Oxidation被引量：198收藏
- 作者：Zhan, Wangcheng Wang, Jinglin Wang, Haifeng Zhang, Jinshui Liu, Xiaofei Zhang, Pengfei Chi, Miaofang Guo, Yanglong Guo, Yun Lu, Guanzhong Sun, Shouheng Dai, Sheng Zhu, Huiyuan
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Oak Ridge Natl Lab;Oak Ridge Natl Lab;Brown Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2017
- 关键词：Gold alloys - Catalytic oxidation - Heat treatment - Catalysis - Catalyst activity - Nanoparticles - Binary alloys
- Stable Isolated Metal Atoms as Active Sites for Photocatalytic Hydrogen Evolution被引量：194收藏
- 作者：Xing, Jun Chen, Jian Fu Li, Yu Hang Yuan, Wen Tao Zhou, Ying Zheng, Li Rong Wang, Hai Feng Hu, P. Wang, Yun Zhao, Hui Jun Wang, Yong Yang, Hua Gui
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;Zhejiang Univ;Zhejiang Univ
- 来源：CHEMISTRY-A EUROPEAN JOURNAL 2014
- 关键词：noble metals photocatalysis single atom titanium water splitting
- Tuning Metal Catalyst with Metal-C3N4 Interaction for Efficient CO2 Electroreduction被引量：182收藏
- 作者：Zhang, Le Mao, Fangxin Zheng, Li Rong Wang, Hai Feng Yang, Xiao Hua Yang, Hua Gui
- 机构：East China Univ Sci & Technol;Chinese Acad Sci;Easr China Univ Sci & Technol;Easr China Univ Sci & Technol
- 来源：ACS CATALYSIS 2018
- 关键词：CO2 electroreduction electrocatalysis Au-C3N4 interaction electron transfer
- Structural Origin: Water Deactivates Metal Oxides to CO Oxidation and Promotes Low-Temperature CO Oxidation with Metals被引量：129收藏
- 作者：Wang, Hai-Feng Kavanagh, Richard Guo, Yang-Long Guo, Yun Lu, Guan-Zhong Hu, P.
- 机构：E China Univ Sci & Technol;Queens Univ Belfast
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2012
- 关键词：density functional calculations heterogeneous catalysis oxidation transition metals water chemistry
- CATKINAS: A large-scale catalytic microkinetic analysis software for mechanism auto-analysis and catalyst screening被引量：114收藏
- 作者：Chen, Jianfu Jia, Menglei Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：JOURNAL OF COMPUTATIONAL CHEMISTRY 2021
- 关键词：density functional theory calculation heterogeneous catalysis microkinetics Newton&apos s method ODE time‐ integration
- Understanding Catalytic Reactions over Zeolites: A Density Functional Theory Study of Selective Catalytic Reduction of NOx by NH3 over Cu-SAPO-34被引量：111收藏
- 作者：Mao, Yu Wang, Ziyun Wang, Hai-Feng Hu, P.
- 机构：East China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2016
- 关键词：Cu-SAPO-34 density functional theory selective catalytic reduction ammonia zeolite nitric oxide
- Evidence To Challenge the Universality of the Horiuti-Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti-Polanyi Mechanism被引量：105收藏
- 作者：Yang, Bo Gong, Xue-Qing Wang, Hai-Feng Cao, Xiao-Ming Rooney, John J. Hu, P.
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Queens Univ Belfast
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2013
- 关键词：Catalysis - Calculations - Aldehydes
- Active sites on hydrogen evolution photocatalyst被引量：101收藏
- 作者：Xing, Jun Jiang, Hai Bo Chen, Jian Fu Li, Yu Hang Wu, Long Yang, Shuang Zheng, Li Rong Wang, Hai Feng Hu, P. Zhao, Hui Jun Yang, Hua Gui
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;Chinese Acad Sci;Queens Univ Belfast
- 来源：JOURNAL OF MATERIALS CHEMISTRY A 2013
- 关键词：Hydrogen production - Platinum - Catalyst activity - Semiconductor materials - Metal nanoparticles - Solar power generation
- Identifying the Role of Photogenerated Holes in Photocatalytic Methanol Dissociation on Rutile TiO2(110)被引量：100收藏
- 作者：Zhang, Jiawei Peng, Chao Wang, Haifeng Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2017
- 关键词：photocatalysis methanol dissociation density functional theory role of photogenerated holes TiO2
- Insight into the NH3-Assisted Selective Catalytic Reduction of NO on β-MnO2(110): Reaction Mechanism, Activity Descriptor, and Evolution from a Pristine State to a Steady State被引量：92收藏
- 作者：Yuan, Haiyang Sun, Ningning Chen, Jianfu Jin, Jiamin Wang, Haifeng Hu, Peijun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2018
- 关键词：density functional theory selective catalytic reduction nitrogen oxides MnO2 catalytic mechanism activity descriptor
- Pd单原子整体催化剂: 功能化的三维结构和优异的化学加氢选择性被引量：88收藏
- 作者：Zhang, Zedong Zhou, Min Chen, Yuanjun Liu, Shoujie Wang, Haifeng Zhang, Jian Ji, Shufang Wang, Dingsheng Li, Yadong
- 机构：Tsinghua Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;Chem & Chem Engn Guangdong Lab
- 来源：[1]Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China;[2]East China Univ Sci & Technol, Ctr Computat Chem, Key Lab Adv Mat, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China;[4]Chem & Chem Engn Guangdong Lab, Shantou 515063, Peoples R China 2021
- Reversibility Iteration Method for Understanding Reaction Networks and for Solving Microkinetics in Heterogeneous Catalysis被引量：88收藏
- 作者：Chen, Jian-Fu Mao, Yu Wang, Hai-Feng Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2016
- 关键词：microkinetics heterogeneous catalysis reversibility iteration method turnover frequency catalytic mechanism catalysis design
- The effects of the Pd chemical state on the activity of Pd/Al2O3 catalysts in CO oxidation被引量：81收藏
- 作者：Zhang, Yanhui Cai, Yafeng Guo, Yun Wang, Haifeng Wang, Li Lou, Yang Guo, Yanglong Lu, Guanzhong Wang, Yanqing
- 机构：E China Univ Sci & Technol; E China Univ Sci & Technol
- 来源：CATALYSIS SCIENCE & TECHNOLOGY 2014
- 关键词：Fourier series - X ray diffraction - Catalyst supports - Adsorption - Catalyst activity - Fourier transform infrared spectroscopy - Palladium - Alumina - Aluminum oxide - Palladium compounds - Chlorine compounds - X ray photoelectron spectroscopy
- Selective methane electrosynthesis enabled by a hydrophobic carbon coated copper core-shell architecture被引量：81收藏
- 作者：Zhang, Xin Yu Li, Wen Jing Wu, Xue Feng Liu, Yuan Wei Chen, Jiacheng Zhu, Minhui Yuan, Hai Yang Dai, Sheng Wang, Hai Feng Jiang, Zheng Liu, Peng Fei Yang, Hua Gui
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ENERGY & ENVIRONMENTAL SCIENCE 2022
- 关键词：Computer architecture - Electrocatalysts - Carbon dioxide - Architecture - Pollution control - Shells (structures) - Surface waters - Density functional theory
- Computational Simulation of Trapped Charge Carriers in TiO2 and ThEIr Impacts on Photocatalytic Water Splitting被引量：80收藏
- 作者：Wang, Dong Li, Fei Chen, Jian-Fu Wang, Hai-Feng Cao, Xiao-Ming Hu, Peijun Gong, Xue-Qing
- 机构： Key Laboratory for Advanced Materials
- 来源：ACS Symposium Series 2019
- 关键词：Catalyst activity - Free radical reactions - Computation theory - Design for testability - Morphology - Platinum - Hydrogen production - Oxygen - Density functional theory - Photocatalytic activity - Electron transitions
- Augmented Electrochemical Oxygen Evolution by d-p Orbital Electron Coupling被引量：79收藏
- 作者：Sun, Ning Zheng, Zhichuan Lai, Zhuangzhuang Wang, Junjie Du, Peng Ying, Tianping Wang, Haifeng Xu, Jianchun Yu, Runze Hu, Zhiwei Pao, Chih-Wen Huang, Wei-Hsiang Bi, Ke Lei, Ming Huang, Kai
- 机构：Beijing Univ Posts & Telecommun;East China Univ Sci & Technol;East China Univ Sci & Technol;Chinese Acad Sci;Ctr High Pressure Sci & Technol Adv Res
- 来源：ADVANCED MATERIALS 2024
- 关键词：density functional calculation d-p orbital hybridization electrochemical oxygen evolution high-entropy compounds van der Waals materials
- Weakened Interfacial Hydrogen Bond Connectivity Drives Selective Photocatalytic Water Oxidation toward H2O2 at Water/Brookite-TiO2 Interface被引量：76收藏
- 作者：Ren, Guanhua Zhou, Min Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2024
- 关键词：Complexation - Crystal atomic structure - Excited states - Hydrogen bonds - Molecular dynamics - Oxide minerals - Phase interfaces - Reaction kinetics
- Highly Electrocatalytic Activity of RuO2 Nanocrystals for Triiodide Reduction in Dye-Sensitized Solar Cells被引量：71收藏
- 作者：Hou, Yu Chen, Zu Peng Wang, Dong Zhang, Bo Yang, Shuang Wang, Hai Feng Hu, P. Zhao, Hui Jun Yang, Hua Gui
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;Queens Univ Belfast
- 来源：SMALL 2014
- 关键词：counter electrodes density functional calculations nanocrystalline materials ruthenium solar cells
- An Atom-Pair Design Strategy for Optimizing the Synergistic Electron Effects of Catalytic Sites in NO Selective Reduction被引量：65收藏
- 作者：Qu, Weiye Yuan, Haiyang Ren, Zhouhong Qi, Jizhen Xu, Dongrun Chen, Junxiao Chen, Liwei Yang, Huagui Ma, Zhen Liu, Xi Wang, Haifeng Tang, Xingfu
- 机构：Fudan Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Jiao Tong Univ;Chinese Acad Sci
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022
- 关键词：Atom-Pair Catalytic Sites Reaction Mechanisms Selective Catalytic Reduction Surface Reactions Synergistic Electron Effects
- Understanding the Dual Active Sites of the FeO/Pt(111) Interface and Reaction Kinetics: Density Functional Theory Study on Methanol Oxidation to Formaldehyde被引量：62收藏
- 作者：Chen, Zongjia Mao, Yu Chen, Jianfu Wang, Haifeng Li, Yadong Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast;Tsinghua Univ
- 来源：ACS CATALYSIS 2017
- 关键词：density functional theory FeO/Pt interface methanol partial oxidation multisite microkinetic model turnover frequency
- Insight into photocatalytic CO2 reduction on TiO2-supported Cu nanorods: a DFT study on the reaction mechanism and selectivity被引量：59收藏
- 作者：Liu, Ying Zhang, Jinyang Jin, Jiamin Liu, Huihui Ren, Guanhua Hu, Peijun Wang, Haifeng
- 机构： State Key Laboratory of Green Chemical Engineering and Industrial Catalysis; School of Physical Science and Technology; School of Chemistry and Chemical Engineering
- 来源：Physical Chemistry Chemical Physics 2024
- 关键词：Nanorods - Photocatalytic activity - Reaction intermediates - Titanium dioxide
- Improved Performance of Nickel Boride by Phosphorus Doping as an Efficient Electrocatalyst for the Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid被引量：59收藏
- 作者：Song, Xiaojie Liu, Xiaohui Wang, Haifeng Guo, Yong Wang, Yanqin
- 机构：East China Univ Sci Technol;East China Univ Sci & Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2020
- 关键词：Nickel compounds - Phosphorus - Electrocatalysis - Borides - Oxidation
- Critical roles of co-catalysts for molecular hydrogen formation in photocatalysis被引量：59收藏
- 作者：Li, Yu Hang Peng, Chao Yang, Shuang Wang, Hai Feng Yang, Hua Gui
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF CATALYSIS 2015
- 关键词：Photocatalysis TiO2 crystal facets Molecular hydrogen formation Density functional theory Active sites Platinum co-catalyst Platinum monoxide co-catalyst
- NO Oxidation on Platinum Group Metals Oxides: First Principles Calculations Combined with Microkinetic Analysis被引量：58收藏
- 作者：Wang, Hai-Feng Guo, Yang-Long Lu, Guanzhong Hu, P.
- 机构：Queens Univ Belfast;E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2009
- 关键词：Calculations - Platinum metals - Density functional theory - Iridium compounds - Catalyst deactivation - Oxidation
