成果/Result
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- Phospholipidomic identification of potential plasma biomarkers associated with type 2 diabetes mellitus and diabetic nephropathy被引量：82收藏
- 作者：Zhu, Chao Liang, Qiong-lin Hu, Ping Wang, Yi-ming Luo, Guo-an
- 机构：Tsinghua Univ;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：TALANTA 2011
- 关键词：Phospholipids Phospholipidomic Type 2 diabetes mellitus Diabetic nephropathy Potential biomarkers
- 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
- 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
- HPLC-electrospray tandem mass spectrometry for simultaneous quantitation of EIght plasma aminothiols: Application to studies of diabetic nephropathy被引量：70收藏
- 作者：Jiang, Zhiting Liang, Qiongling Luo, Guoan Hu, Ping Li, Ping Wang, Yiming
- 机构：Tsinghua Univ;E China Univ Sci & Technol;E China Univ Sci & Technol;Chinese Japanese Friendship Hosp
- 来源：TALANTA 2009
- 关键词：Aminothiol HPLC-ESI-MS/MS Diabetic nephropathy
- 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
- Ultraviolet and tandem mass spectrometry for simultaneous quantification of 21 pivotal metabolites in plasma from patients with diabetic nephropathy被引量：61收藏
- 作者：Xia, Jian-Fei Liang, Qiong-Lin Liang, Xiao-Ping Wang, Yi-Ming Hu, Ping Li, Ping Luo, Guo-An
- 机构：Tsinghua Univ;E China Univ Sci & Technol;E China Univ Sci & Technol;Sinojapanese Friendship Hosp
- 来源：JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES 2009
- 关键词：Diabetic nephropathy Purine and pyrimidine metabolism Ultraviolet and tandem mass spectrometry Biomarker
- 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
- In Operando Identification of In Situ Formed Metalloid Zincδ+ Active Sites for Highly Efficient Electrocatalyzed Carbon Dioxide Reduction被引量：57收藏
- 作者：Zhang, Xin Yu Li, Wen Jing Chen, Jiacheng Wu, Xue Feng Liu, Yuan Wei Mao, Fangxin Yuan, Hai Yang Zhu, Minghui Dai, Sheng Wang, Hai Feng Hu, P. Sun, Chenghua 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;Queens Univ Belfast
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022
- 关键词：CO2 Reduction Reaction EA Global Optimization Method Metalloid Zn8+ Operando EXAFS Zinc Pyrophosphate
- Metabolomic profiling of rat serum associated with isoproterenol-induced myocardial infarction using ultra-performance liquid chromatography/time-of-flight mass spectrometry and multivariate analysis被引量：54收藏
- 作者：Zhang, Hong-yang Chen, Xi Hu, Ping Liang, Qiong-lin Liang, Xiao-ping Wang, Yi-ming Luo, Guo-an
- 机构：E China Univ Sci & Technol;Tsinghua Univ
- 来源：TALANTA 2009
- 关键词：Metabolomics Ultra-performance liquid chromatography/time-of-flight mass spectrometry (UPLC/TOF-MS) Multivariate analysis Myocardial infarction Lipid biomarkers
- Application of β-Cyclodextrin metal-organic framework/titanium dioxide hybrid nanocomposite as dispersive solid-phase extraction adsorbent to organochlorine pesticide residues in honey samples被引量：54收藏
- 作者：Sun, Xuezhi Fu, Zhibo Jiang, Tianyu Ning, Fanghong Cheng, Yongzhe Fu, Tianhao Zhu, Mingsheng Zhang, Hongyang Zhang, Min Hu, Ping
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF CHROMATOGRAPHY A 2022
- 关键词：Metal-organic framework Organochlorine pesticide D -SPE GC-MS MS Honey
- A DFT + U study of CO oxidation at CeO2(110) and (111) surfaces with oxygen vacancies被引量：53收藏
- 作者：Song, Ya-Ling Yin, Li-Li Zhang, Jie Hu, P. Gong, Xue-Qing Lu, Guanzhong
- 机构： Key Laboratory for Advanced Materials
- 来源：Surface Science 2013
- 关键词：Oxidation - Cerium oxide - Density functional theory - Surface reactions
- Origin of extraordinarily high catalytic activity of Co3O 4 and its morphological chemistry for CO oxidation at low temperature被引量：53收藏
- 作者：Wang, Hai-Feng Kavanagh, Richard Guo, Yang-Long Guo, Yun Lu, Guanzhong Hu, P.
- 机构： Labs for Advanced Materials; School of Chemistry and Chemical Engineering
- 来源：Journal of Catalysis 2012
- 关键词：Temperature - Catalysis - Catalyst activity - Manganese oxide - Oxygen - Catalytic oxidation - Copper oxides - Metals - Coordination reactions - Magnetite
- Transformation of Ginsenosides from Notoginseng by Artificial Gastric Juice Can Increase Cytotoxicity toward Cancer Cells被引量：52收藏
- 作者：Wang, Jing-Rong Yau, Lee Fong Zhang, Rui Xia, Yun Ma, Jing Ho, Hing Man Hu, Ping Hu, Ming Liu, Liang Jiang, Zhi-Hong
- 机构：Macau Univ Sci & Technol;Hong Kong Baptist Univ;E China Univ Sci & Technol;Univ Houston
- 来源：JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 2014
- 关键词：notoginseng ginsenoside gastric juice transformation LC-MS
- Resolving the Intricate Mechanism and Selectivity of Syngas Conversion on Reduced ZnCr2Ox: A Quantitative Study from DFT and Microkinetic Simulations被引量：52收藏
- 作者：Lai, Zhuangzhuang Sun, Ningling Jin, Jiamin Chen, Jianfu Wang, Haifeng Hu, P.
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2021
- 关键词：density functional theory Fischer-Tropsch ZnCrOx microkinetic analysis CO activation
