成果/Result
- Visible-Light-Driven Valorization of Biomass Intermediates Integrated with H2 Production Catalyzed by Ultrathin Ni/CdS Nanosheets被引量：475收藏
- 作者：Han, Guanqun Jin, Yan-Huan Burgess, R. Alan Dickenson, Nicholas E. Cao, Xiao-Ming Sun, Yujie
- 机构：Utah State Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2017
- 关键词：Furfural - II-VI semiconductors - Light - Biomass - Carboxylation - Binding energy - Hydrogen production - Aldehydes - Nanosheets
- Phosphorus-Mo2C@carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation被引量：423收藏
- 作者：Shi, Zhangping Nie, Kaiqi Shao, Zheng-Jiang Gao, Boxu Lin, Huanlei Zhang, Hongbin Liu, Bolun Wang, Yangxia Zhang, Yahong Sun, Xuhui Cao, Xiao-Ming Hu, P. Gao, Qingsheng Tang, Yi
- 机构：Fudan Univ;Fudan Univ;Jinan Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ENERGY & ENVIRONMENTAL SCIENCE 2017
- 关键词：Chemical bonds - Precious metals - Benchmarking - Carbon - Free energy - Kinetics - Density functional theory - Polyaniline - Phosphorus - Binding energy
- Promoting Effects of In2O3 on Co3O4 for CO Oxidation: Tuning O2 Activation and CO Adsorption Strength Simultaneously被引量：296收藏
- 作者：Lou, Yang Ma, Jian Cao, Xiaoming Wang, Li Dai, Qiguang Zhao, Zhenyang Cai, Yafeng Zhan, Wangcheng Guo, Yanglong Hu, P. Lu, Guanzhong Guo, Yun
- 机构：E China Univ Sci & Technol
- 来源：ACS CATALYSIS 2014
- 关键词：Co3O4 In2O3 CO oxidation CO adsorption strength redox ability surface carbonate species
- Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory被引量：261收藏
- 作者：Wang, Ziyun Cao, X. -M. Zhu, Jinghao Hu, P.
- 机构：Queens Univ Belfast;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF CATALYSIS 2014
- 关键词：Dry reforming Coke formation Deactivation Nickel Nickel carbide Methane CO2 DFT Microkinetics
- Low-Temperature Methane Combustion over Pd/H-ZSM-5: Active Pd Sites with Specific Electronic Properties Modulated by Acidic Sites of H-ZSM-5被引量：245收藏
- 作者：Lou, Yang Ma, Jian Hu, Wende Dai, Qiguang Wang, Li Zhan, Wangcheng Guo, Yanglong Cao, Xiao-Ming Guo, Yun Hu, P. Lu, Guanzhong
- 机构：East China Univ Sci & Technol; East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2016
- 关键词：methane combustion Pd H-ZSM-5 surface acidity Lewis acidity
- White-light emission from a single organic compound with unique self-folded conformation and multistimuli responsiveness被引量：162收藏
- 作者：Li, Dengfeng Hu, Wende Wang, Jie Zhang, Qiwei Cao, Xiao-Ming Ma, Xiang Tian, He
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL SCIENCE 2018
- 关键词：Hydrophobicity - Solvents - Light emission - Molecules - Synthesis (chemical) - Display devices - Charge transfer
- Origin of Efficient Catalytic Combustion of Methane over Co3O4(110): Active Low-Coordination Lattice Oxygen and Cooperation of Multiple Active Sites被引量：149收藏
- 作者：Hu, Wende Lan, Jinggang Guo, Yun Cao, Xiao-Ming 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：spinel cobalt oxides DFT methane combustion C-H bond activation multiple active sites
- Direct oxidation of methane to oxygenates on supported single Cu atom catalyst被引量：139收藏
- 作者：Tang, Xuan Wang, Li Yang, Bing Fei, Chen Yao, Tingyi Liu, Wei Lou, Yang Dai, Qiguang Cai, Yafeng Cao, Xiao-Ming Zhan, Wangcheng Guo, Yanglong Gong, Xue-Qing Guo, Yun
- 机构：East China Univ Sci & Technol;Jiangnan Univ;Dalian Inst Chem Phys
- 来源：APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY 2021
- 关键词：Methane direct conversion Single Cu atoms Preferential methane activation
- Identification of Active Area as Active Center for CO Oxidation over Single Au Atom Catalyst被引量：131收藏
- 作者：Lou, Yang Cai, Yafeng Hu, Wende Wang, Li Dai, Qiguang Zhan, Wangcheng Guo, Yanglong Hu, P. Cao, Xiao-Ming Liu, Jingyue Guo, Yun
- 机构：East China Univ Sci & Technol;Arizona State Univ;Jiangnan Univ
- 来源：ACS CATALYSIS 2020
- 关键词：single-atom Au activity origin isotope labeling DFT calculation CO oxidation
- Bonding Strength Regulates Anchoring-Based Self-Assembly Monolayers for Efficient and Stable Perovskite Solar Cells被引量：130收藏
- 作者：Li, Erpeng Liu, Cong Lin, Hongzhen Xu, Xiaojia Liu, Shuaijun Zhang, Shuo Yu, Miaojie Cao, Xiao-Ming Wu, Yongzhen Zhu, Wei-Hong
- 机构：East China Univ Sci & Technol;Chinese Acad Sci
- 来源：ADVANCED FUNCTIONAL MATERIALS 2021
- 关键词：anchoring based self-assembly bonding strength hole transporting materials monolayer perovskite solar cells
- Minimising the Demand for High-Fidelity Training Data towards Chemically Accurate Adsorption Energy Predictions被引量：115收藏
- 作者：Zhang, Zhihao Cao, Xiao-Ming
- 机构： State Key Laboratory of Green Chemical Engineering and Industrial Catalysis; State Key Laboratory of Synergistic Chem-Bio Synthesis
- 来源：arXiv 2025
- 关键词：Adsorption - Catalysts - Computation theory - Deep learning - Learning systems - Personnel training
- Activity and stability of Co3O4-based catalysts for soot oxidation: The enhanced effect of Bi2O3 on activation and transfer of oxygen被引量：113收藏
- 作者：Shang, Zhou Sun, Min Chang, Sanmao Che, Xiang Cao, Xiaoming Wang, Li Guo, Yun Zhan, Wangcheng Guo, Yanglong Lu, Guanzhong
- 机构：East China Univ Sci & Technol; East China Univ Sci & Technol
- 来源：APPLIED CATALYSIS B-ENVIRONMENTAL 2017
- 关键词：Soot oxidation Co3O4 Bi2O3 Oxygen exchange Stability
- 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
- Highly Selective Detection of Carbon Monoxide in Living Cells by Palladacycle Carbonylation-Based Surface Enhanced Raman Spectroscopy Nanosensors被引量：95收藏
- 作者：Cao, Yue Li, Da-Wei Zhao, Li-Jun Liu, Xiao-Yuan Cao, Xiao-Ming Long, Yi-Tao
- 机构：E China Univ Sci & Technol; E China Univ Sci & Technol
- 来源：ANALYTICAL CHEMISTRY 2015
- 关键词：Fiber optic sensors - Raman spectroscopy - Synthesis (chemical) - Nanosensors - Lanthanum compounds - Gold nanoparticles - Light transmission - Carbonylation
- Neglected acidity pitfall: boric acid-anchoring hole-selective contact for perovskite solar cells被引量：88收藏
- 作者：Guo, Huanxin Liu, Cong Hu, Honglong Zhang, Shuo Ji, Xiaoyu Cao, Xiao-Ming Ning, Zhijun Zhu, Wei-Hong Tian, He Wu, Yongzhen
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Tech Univ
- 来源：NATIONAL SCIENCE REVIEW 2023
- 关键词：perovskite solar cells hole-selective contact boric acid anchor acid-induced degradation long-term stability
- Atomic Insights into the Cu Species Supported on Zeolite for Direct Oxidation of Methane to Methanol via Low-Damage HAADF-STEM被引量：86收藏
- 作者：Tang, Xuan Ye, Jiajie Guo, Lisheng Pu, Tiancheng Cheng, Lu Cao, Xiao-Ming Guo, Yanglong Wang, Li Guo, Yun Zhan, Wangcheng Dai, Sheng
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Lehigh Univ
- 来源：ADVANCED MATERIALS 2023
- 关键词：beam sensitive copper direct oxidation of methane transmission electron microscopy zeolites
- 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
- Molecular-Level Insight into Selective Catalytic Reduction of NOx with NH3 to N2 over a Highly Efficient Bifunctional Va-MnOx Catalyst at Low Temperature被引量：78收藏
- 作者：Xin, Ying Li, Hao Zhang, Nana Li, Qian Zhang, Zhaoliang Cao, Xiaoming Hu, P. Zheng, Lirong Anderson, James A.
- 机构： School of Chemistry and Chemical Engineering; Centre for Computational Chemistry; Institute of High Energy Physics; Surface Chemistry and Catalysis Group
- 来源：ACS Catalysis 2018
- 关键词：Manganese oxide - Air quality - Catalyst activity - Catalyst selectivity - Ammonia - Temperature - Density functional theory - Nitrogen oxides - Sol-gels
- Experimental and Theoretical Insight into the Facet-Dependent Mechanisms of NO Oxidation Catalyzed by Structurally Diverse Mn2O3 Nanocrystals被引量：70收藏
- 作者：Xin, Ying Cheng, Lu Lv, Yanan Jia, Junxiu Han, Dongxu Zhang, Nana Wang, Jin Zhang, Zhaoliang Cao, Xiao-Ming
- 机构：Univ Jinan;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2022
- 关键词：facet-dependent catalytic performance Mn2O3 reaction mechanism NO oxidation density functional theory
- The existing states of potassium species in K-doped Co3O4 catalysts and thEIr influence on the activities for NO and soot oxidation被引量：67收藏
- 作者：Shang, Zhou Sun, Min Che, Xiang Wang, Wei Wang, Li Cao, Xiaoming Zhan, Wangcheng Guo, Yanglong Guo, Yun Lu, Guanzhong
- 机构：East China Univ Sci & Technol; East China Univ Sci & Technol
- 来源：CATALYSIS SCIENCE & TECHNOLOGY 2017
- 关键词：Dust - Ionization of gases - Nitrogen oxides - Potassium - Oxygen vacancies - Sol-gel process - Sol-gels - Catalyst activity - Soot
- Selective catalytic reduction of NOx with NH3 over short-range ordered W-O-Fe structures with high thermal stability被引量：61收藏
- 作者：Xin, Ying Zhang, Nana Li, Qian Zhang, Zhaoliang Cao, Xiaoming Zheng, Lirong Zeng, Yuewu Anderson, James A.
- 机构：Univ Jinan;East China Univ Sci & Technol;Chinese Acad Sci;Zhejiang Univ;Zhejiang Univ
- 来源：APPLIED CATALYSIS B-ENVIRONMENTAL 2018
- 关键词：Nitrogen oxides Selective catalytic reduction Ammonia Short-range order High thermal stability
- Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis被引量：59收藏
- 作者：Xu, Jiayan Cao, Xiao-Ming Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2021
- 关键词：Calculations - Thermodynamics - Reaction intermediates - Chemical industry - Catalysts - Forecasting - Regression analysis - Learning algorithms - Surface reactions
- Density Functional Theory Studies of Ethanol Decomposition on Rh(211)被引量：57收藏
- 作者：Zhang, Jia Cao, X. -M. Hu, P. Zhong, Ziyi Borgna, Armando Wu, Ping
- 机构：Inst High Performance Comp;E China Univ Sci & Technol;E China Univ Sci & Technol;Queens Univ Belfast;Inst Chem Engn & Sci
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2011
- 关键词：Rhodium compounds - Density functional theory - Steam reforming - Electron energy levels - Electrooxidation - Ethanol
- DFT+ U Study on Catalysis by Co3O4: Influence of U Value and a Surface-Bulk Bi- U Strategy被引量：57收藏
- 作者：Hu, Wende Cao, Xiao-Ming Hu, P.
- 机构： Key Laboratory for Advanced Materials; School of Chemistry and Chemical Engineering
- 来源：Journal of Physical Chemistry C 2018
- 关键词：Ground state - Surface reactions - Transition metal oxides - Reaction intermediates - Chemical bonds - Transition metals - Catalysis - Electronic structure - Chemical activation
- Amorphous metal-free roomerature phosphorescent small molecules with multicolor photoluminescence via a host-guest and dual-emission strategy被引量：53收藏
- 作者：Li, Dengfeng Lu, Feifei Wang, Jie Hu, Wende Cao, Xiao-Ming Ma, Xiang Tian, He
- 机构： Key Laboratory for Advanced Materials and Institute of Fine Chemicals
- 来源：Journal of the American Chemical Society 2018
- 关键词：Fluorescence - Cyclodextrins - Molecules - Hydrogen bonds - Phosphors
- Synergistic effect of dual active sites over Ru/α-MoC for accelerating alkaline hydrogen evolution reaction被引量：52收藏
- 作者：Fan, Xueliang Liu, Cong Wu, Minying Gao, Boxu Zheng, Luyao Zhang, Yahong Zhang, Hongbin Gao, Qingsheng Cao, Xiaoming Tang, Yi
- 机构： Department of Chemistry; Key Laboratory for Advanced Materials; Institute for Preservation of Chinese Ancient Books; College of Chemistry and Materials Science
- 来源：Applied Catalysis B: Environmental 2022
- 关键词：Electrocatalysts - Hydrogen
- Polymer-Supported Pd Nanoparticles for Solvent-Free Hydrogenation被引量：50收藏
- 作者：Luo, Qingsong Wang, Hai Xiang, Qian Lv, Yating Yang, Jiabao Song, Lijuan Cao, Xiaoming Wang, Liang Xiao, Feng-Shou
- 机构：Zhejiang Univ;Zhejiang Univ;East China Univ Sci & Technol;Liaoning Petrochem Univ;Shanghai Jiao Tong Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2024
- 关键词：Aniline - Hydrogenation - Nanocatalysts - Nanoclay
- Silver and Copper Dual Single Atoms Boosting Direct Oxidation of Methane to Methanol via Synergistic Catalysis被引量：50收藏
- 作者：Yu, Baiyang Cheng, Lu Dai, Sheng Jiang, Yongjun Yang, Bing Li, Hong Zhao, Yi Xu, Jing Zhang, Ying Pan, Chengsi Cao, Xiao-Ming Zhu, Yongfa Lou, Yang
- 机构：Jiangnan Univ;Jiangnan Univ;East China Univ Sci & Technol;East China Univ Sci & Technol;Dalian Inst Chem Phys
- 来源：ADVANCED SCIENCE 2023
- 关键词：dual-atom centers methane direct conversion methanol selective conversion synergistic catalysis
- Electron donation mechanism of superior Cs-supported oxides for catalytic soot combustion被引量：50收藏
- 作者：Li, Qian Xin, Ying Zhang, Zhaoliang Cao, Xiaoming
- 机构：Univ Jinan;East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2018
- 关键词：Soot combustion Alkali metal Electron donation Catalytic mechanism
- Improved Prediction for the Methane Activation Mechanism on Rutile Metal Oxides by a Machine Learning Model with Geometrical Descriptors被引量：48收藏
- 作者：Xu, Jiayan Cao, Xiao-Ming Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2019
- 关键词：Activation energy - Density functional theory - Methane - Titanium dioxide - Oxide minerals - Machine learning - Metals
