成果/Result
- Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host-guest strategy被引量：622收藏
- 作者：Li, Zhi Chen, Yuanjun Ji, Shufang Tang, Yan Chen, Wenxing Li, Ang Zhao, Jie Xiong, Yu Wu, Yuen Gong, Yue Yao, Tao Liu, Wei Zheng, Lirong Dong, Juncai Wang, Yu Zhuang, Zhongbin Xing, Wei He, Chun-Ting Peng, Chao Cheong, Weng-Chon Li, Qiheng Zhang, Maolin Chen, Zheng Fu, Ninghua Gao, Xin Zhu, Wei Wan, Jiawei Zhang, Jian Gu, Lin Wei, Shiqiang Hu, Peijun Luo, Jun Li, Jun Chen, Chen Peng, Qing Duan, Xiangfeng Huang, Yu Chen, Xiao-Ming Wang, Dingsheng Li, Yadong
- 机构：Tsinghua Univ;Beijing Univ Technol;East China Univ Sci & Technol;Univ Sci & Technol China;Chinese Acad Sci
- 来源：NATURE CHEMISTRY 2020
- 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
- Metal/oxide interfacial effects on the selective oxidation of primary alcohols被引量：190收藏
- 作者：Zhao, Guofeng Yang, Fan Chen, Zongjia Liu, Qingfei Ji, Yongjun Zhang, Yi Niu, Zhiqiang Mao, Junjie Bao, Xinhe Hu, Peijun Li, Yadong
- 机构：Tsinghua Univ;Chinese Acad Sci;East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：NATURE COMMUNICATIONS 2017
- 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
- Exploring dynamic interactions of single nanoparticles at interfaces for surface-confined electrochemical behavior and size measurement被引量：103收藏
- 作者：Ma, Hui Chen, Jian-Fu Wang, Hai-Feng Hu, Pei-Jun Ma, Wei Long, Yi-Tao
- 机构：East China Univ Sci & Technol;Nanjing Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：NATURE COMMUNICATIONS 2020
- Bubble-water/catalyst triphase interface microenvironment accelerates photocatalytic OER via optimizing semi-hydrophobic OH radical被引量：96收藏
- 作者：Ren, Guanhua Zhou, Min Hu, Peijun Chen, Jian-Fu Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：NATURE COMMUNICATIONS 2024
- 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
- Dispersed Nickel Boosts Catalysis by Copper in CO2 Hydrogenation被引量：87收藏
- 作者：Wang, Ling-Xiang Guan, Erjia Wang, Zhiqiang Wang, Liang Gong, Zhongmiao Cui, Yi Yang, Zhiyuan Wang, Chengtao Zhang, Jian Meng, Xiangju Hu, Peijun Gong, Xue-Qing Gates, Bruce C. Xiao, Feng-Shou
- 机构：Zhejiang Univ;Zhejiang Univ;Univ Calif Davis;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2020
- 关键词：CO2 hydrogenation copper catalyst nickel reverse water-gas shift alloy
- Amorphous Catalysis: Machine Learning Driven High-Throughput Screening of Superior Active Site for Hydrogen Evolution Reaction被引量：53收藏
- 作者：Zhang, Jiawei Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2020
- 关键词：Catalysis - Catalysts - Chemical analysis - Nickel compounds - Machine learning - Chemisorption - Forecasting
- Enhancing Metal-Support Interactions by Molybdenum Carbide: An efficient Strategy toward the Chemoselective Hydrogenation of ,-Unsaturated Aldehydes被引量：43收藏
- 作者：He, Sina Shao, Zheng-Jiang Shu, Yijin Shi, Zhangping Cao, Xiao-Ming Gao, Qingsheng Hu, Peijun Tang, Yi
- 机构：Jinan Univ;E China Univ Sci & Technol;E China Univ Sci & Technol;Fudan Univ;Fudan Univ
- 来源：CHEMISTRY-A EUROPEAN JOURNAL 2016
- 关键词：carbides hydrogenation iridium metal-support interactions unsaturated aldehydes
- Understanding the Dynamic Potential Distribution at the Electrode Interface by Stochastic Collision Electrochemistry被引量：43收藏
- 作者：Lu, Si-Min Chen, Jian-Fu Peng, Yue-Yi Ma, Wei Ma, Hui Wang, Hai-Feng Hu, Peijun Long, Yi-Tao
- 机构：Nanjing Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2021
- 关键词：Charge transfer - Stochastic systems - Metal nanoparticles - Electrodes
- Insight into Room-Temperature Catalytic Oxidation of Nitric oxide by Cr2O3: A DFT Study被引量：40收藏
- 作者：Jin, Jiamin Sun, Ningling Hu, Wende Yuan, Haiyang 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 chromium oxides NO oxidation room temperature catalytic mechanism monochain CrO3
- Methane activation over a boron nitride catalyst driven by in situ formed molecular water被引量：39收藏
- 作者：Wang, Yang Zhao, Liyang Shi, Lei Sheng, Jian Zhang, Weiping Cao, Xiao-Ming Hu, Peijun Lu, An-Hui
- 机构：Dalian Univ Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：CATALYSIS SCIENCE & TECHNOLOGY 2018
- 关键词：Nitrides - III-V semiconductors - Methane - Chemical activation
- Activity Trend for Low-Concentration NO Oxidation at Room Temperature on Rutile-Type Metal Oxides被引量：39收藏
- 作者：Yuan, Haiyang Chen, Jianfu 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：room-temperature NO oxidation activity trend density functional theory calculation microkinetics MnO2 Mars-van Krevelen mechanism
- SSIA: A sensitivity-supervised interlock algorithm for high-performance microkinetic solving被引量：38收藏
- 作者：Chen, Jianfu Jia, Menglei Lai, Zhuangzhuang Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：JOURNAL OF CHEMICAL PHYSICS 2021
- 关键词：Rate constants - Newton-Raphson method
- A retrievable and highly selective fluorescent probe for monitoring dihydrogen phosphate ions based on a naphthalimide framework被引量：34收藏
- 作者：Chen, Zhijun Wang, Limin Zou, Gang Cao, Xiaoming Wu, Yue Hu, Peijun
- 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：SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 2013
- 关键词：Dihydrogen phosphate anions Fluorescence revival Naphthalimide derivatives Fluorescent probe High selectivity
- Unexpected C-C Bond Cleavage Mechanism in Ethylene Combustion at Low Temperature: Origin and Implications被引量：33收藏
- 作者：Wang, Hai-Feng Wang, Dong Liu, Xiaohui Guo, Yang-Long Lu, Guan-Zhong Hu, Peijun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2016
- 关键词：C-C bond activation DFT valency-saturation-driven mechanism heterogeneous catalysis Co3O4
- First principles study of Fenton reaction catalyzed by FeOCl: reaction mechanism and location of active site被引量：29收藏
- 作者：Ji, Xuan-Xuan Wang, Hai-Feng Hu, Pei-Jun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：RARE METALS 2019
- 关键词：Fenton reaction FeOCl Density functional theory H2O2 Active site
- Identifying the Activity Origin of a Single-Atom Au1/Nb2O5 Catalyst for Hydrodeoxygenation of Methylcatechol: A Stable Substitutional Au plus Site被引量：26收藏
- 作者：Xia, Jie Dong, Lin Liu, Xiaohui Chernikov, Roman Shakouri, Mohsen Hu, Yongfeng Guo, Yong Wang, Jianjian Song, Kepeng Hu, Peijun Wang, Yanqin Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Nanjing Forestry Univ;Canadian Light Source Inc
- 来源：ACS CATALYSIS 2023
- 关键词：single-atom catalyst Au-based catalyst activity site hydrodeoxygenation
- Insight into room-temperature catalytic oxidation of NO by CrO2(110): A DFT study被引量：22收藏
- 作者：Jin, Jiamin Chen, Jianfu Wang, Haifeng Hu, Peijun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：CHINESE CHEMICAL LETTERS 2019
- 关键词：Density functional theory Chromium dioxides NO oxidation Room temperature Catalytic mechanism
- Mass Transport and Electron Transfer at the Electrochemical- Confined Interface被引量：22收藏
- 作者：Lu, Si -Min Chen, Jian-Fu Wang, Hai-Feng Hu, Peijun Long, Yi-Tao
- 机构：East China Univ Sci & Technol;Nanjing Univ;Queens Univ Belfast
- 来源：JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2023
- 关键词：Electron transitions - Stochastic systems
- Hydride Generation on the Cu-Doped CeO2(111) Surface and Its Role in CO2 Hydrogenation Reactions被引量：19收藏
- 作者：Wang, Zhi-Qiang Liu, Hui-Hui Wu, Xin-Ping Hu, Peijun Gong, Xue-Qing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：CATALYSTS 2022
- 关键词：ceria hydride CO2 hydrogenation single Cu doping density functional theory
- Gold Segregation Improves Electrocatalytic Activity of Icosahedron Au@Pt Nanocluster: Insights from Machine Learning?被引量：19收藏
- 作者：Chen, Dingming Lai, Zhuangzhuang Zhang, Jiawei Chen, Jianfu Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol; East China Univ Sci & Technol
- 来源：CHINESE JOURNAL OF CHEMISTRY 2021
- 关键词：Machine learning Density functional calculations Genetic algorithm Nanostructures O-O activation
- Identifying the composition and atomic distribution of Pt-Au bimetallic nanoparticle with machine learning and genetic algorithm被引量：19收藏
- 作者：Zhang, Jiawei Chen, Jianfu Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：CHINESE CHEMICAL LETTERS 2020
- 关键词：Density functional theory calculation Machine learning Genetic algorithm Bimetallic nanoparticle PtAu cluster
- Screening performance of methane activation over atomically dispersed metal catalysts on defective boron nitride monolayers: A density functional theory study被引量：14收藏
- 作者：Cao, Xiao-Ming Zhou, Haijin Zhao, Liyang Chen, Xuning Hu, Peijun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：CHINESE CHEMICAL LETTERS 2021
- 关键词：Boron nitride monolayer Density functional theory Methane activation Surface reactive oxygen species Transition metal center
- Density functional theory study of mixed-phase TiO2: heterostructures and electronic properties被引量：13收藏
- 作者：Li, Wei-Kun Hu, Peijun Lu, Guanzhong Gong, Xue-Qing
- 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：JOURNAL OF MOLECULAR MODELING 2014
- 关键词：Mixed-phase materials Photocatalysis Photogenerated electrons/holes Titanium dioxide
- Molecular Adsorption Kinetics: Nonlinear Entropy-Enthalpy Loss Quantified by Constrained AIMD and Insights into the Adsorption-Site Determination on Metal Oxides被引量：12收藏
- 作者：Peng, Chao Chen, Jianfu Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Univ South China;Chinese Acad Sci;Queens Univ Belfast
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2021
- 关键词：Free energy - Platinum compounds - Adsorption - Entropy - Catalysis - Cobalt compounds - Molecular dynamics - Temperature distribution - Catalyst activity - Metals - Rhodium compounds
- Universal Skeleton Feature of the Three-Dimensional Volcano Surface and the Thermodynamic Rule in Locating the Catalyst in Heterogeneous Catalysis被引量：9收藏
- 作者：Lai, Zhuangzhuang 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：ACS CATALYSIS 2022
- 关键词：heterogeneous catalysis 3D volcano surface catalytic kinetics catalyst design first-principles calculation
- Computationally revisiting pH- and ligand-dependence of Fenton reaction selectivity and activity in aqueous solution被引量：4收藏
- 作者：Liu, Ying Hu, Peijun Wang, Haifeng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast;ShanghaiTech Univ
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2025
- 关键词：Binding sites - Degradation - Deprotonation - Free radical reactions - Oxidation - Reaction intermediates - Reaction kinetics
