成果/Result
- 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
- Revealing the Size Effect of Ceria Nanocube-Supported Platinum Nanoparticles in Complete Propane Oxidation被引量：84收藏
- 作者：Ge, Shasha Fan, Wenpu Tang, Xuan Cui, Yao Wang, Dong Gong, Xue-Qing Dai, Sheng Lou, Yang Tang, Jie Guo, Yanglong Zhan, Wangcheng Wang, Li Guo, Yun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai HuaYi New Mat Co Ltd;Jiangnan Univ
- 来源：ACS CATALYSIS 2024
- 关键词：propane oxidation Pt/CeO2 catalyst size effect chemicalstate of Pt geometric structure
- 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
- Strategies To Improve the Activity While Maintaining the Selectivity of Oxidative Coupling of Methane at La2O3: A Density Functional Theory Study被引量：77收藏
- 作者：Wang, Zhi-Qiang Wang, Dong Gong, Xue-Qing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2020
- 关键词：oxidative coupling of methane rare earth oxides doped La2O3(001) activity and selectivity density functional theory
- 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
- Core-Shell Nanostructured Ru@Ir-O Electrocatalysts for Superb Oxygen Evolution in Acid被引量：71收藏
- 作者：Zhang, Jiahao Fu, Xianbiao Xia, Fanjie Zhang, Wenqing Ma, Dongsheng Zhou, Yu Peng, Hong Wu, Jinsong Gong, Xueqing Wang, Dong Yue, Qin
- 机构：Univ Elect Sci & Technol China;Wuhan Univ Technol;Rice Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：SMALL 2022
- 关键词：water electrolysis oxygen evolution reaction iridium core-shell structures tensile strain
- Structures and reactivities of the CeO2/Pt(111) reverse catalyst: A DFT+U study被引量：60收藏
- 作者：Zheng, Zhu-Yuan Wang, Dong Zhang, Yi Yang, Fan Gong, Xue-Qing
- 机构： Key Laboratory for Advanced Materials; State Key Laboratory of Catalysis
- 来源：Chinese Journal of Catalysis 2020
- 关键词：Oxidation - Oxygen vacancies - Structural optimization - Catalyst activity - Monolayers - Oxygen - Cerium oxide - Platinum compounds - Surface reactions - Metals
- Comparative Study on Pyrido[3,4-b]pyrazine-Based Sensitizers by Tuning Bulky Donors for Dye-Sensitized Solar Cells被引量：58收藏
- 作者：Zhang, Xiaoyu Mao, Jiangyi Wang, Dan Li, Xin Yang, Jiabao Shen, Zhongjin Wu, Wenjun Li, Jing Agren, Hans Hua, Jianli
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;KTH Royal Inst Technol
- 来源：ACS APPLIED MATERIALS & INTERFACES 2015
- 关键词：sensitizers pyrido[3,4-b]pyrazine indoline triphenylamine dye-sensitized solar cells
- Clarifying the impacts of surface hydroxyls on CO oxidation on CeO2(100) surfaces: A DFT+: U study被引量：48收藏
- 作者：Zhou, Hui Wang, Dong Gong, Xue-Qing
- 机构： Key Laboratory for Advanced Materials
- 来源：Physical Chemistry Chemical Physics 2020
- 关键词：Catalysis - Catalytic oxidation - Catalyst activity - Hydrogen bonds - Density functional theory - Electronic structure
- A DFT+: U revisit of reconstructed CeO2(100) surfaces: Structures, thermostabilities and reactivities被引量：43收藏
- 作者：Zhou, Chong-Yuan Wang, Dong Gong, Xue-Qing
- 机构： Key Laboratory for Advanced Materials
- 来源：Physical Chemistry Chemical Physics 2019
- 关键词：Stability - Density functional theory - Oxygen - Carbon dioxide - Catalyst activity
- Revealing the Volcano-Shaped Activity Trend of Triiodide Reduction Reaction: A DFT Study Coupled with Microkinetic Analysis被引量：42收藏
- 作者：Wang, Dong Jiang, Jun Wang, Hai-Feng Hu, P.
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Queens Univ Belfast
- 来源：ACS CATALYSIS 2016
- 关键词：triiodide reduction I-3(-)/I- dye-sensitized solar cells BEP relation microkinetic analysis volcano curve electrocatalysis density functional theory
- Near-infrared absorbing isoindigo sensitizers: Synthesis and performance for dye-sensitized solar cells被引量：41收藏
- 作者：Wang, Dan Ying, Weijiang Zhang, Xiaoyu Hu, Yue Wu, Wenjun Hua, Jianli
- 机构：E China Univ Sci & Technol; E China Univ Sci & Technol
- 来源：DYES AND PIGMENTS 2015
- 关键词：Isoindigo Near-infrared absorption Synthesis Dye-sensitized solar cells Sensitizers Indoline
- Theoretical Insights into Nitrate Reduction to Ammonia over Pt/TiO2: Reaction Mechanism, Activity Regulation, and Catalyst Design被引量：40收藏
- 作者：Xie, Zheng-Li Wang, Dong Gong, Xue-Qing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2022
- 关键词：nitrate reduction Pt/TiO2 charge density regulation Zn/Cu doping density functional theory
- Regulating concentration of surface oxygen vacancies in Bi2MoO6/Bi-MOF for boosting photocatalytic ammonia synthesis被引量：38收藏
- 作者：Dong, Qibing Li, Ximing Sun, Jinhua Zhu, Yiyin Liang, Xinxin Ren, Haitao Labidi, Abdelkader Wang, Dong Li, Fei Wang, Chuanyi
- 机构：Shaanxi Univ Sci & Technol;Jiangxi Sci & Technol Normal Univ;Chalmers Univ Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF CATALYSIS 2024
- 关键词：Bi2MoO6 Bi-MOF Regulating OVs concentration Photocatalytic Ammonia synthesis
- Highly Efficient and Stereoselective Construction of Bispirooxindole Derivatives via a Three-Component 1,3-Dipolar Cycloaddition Reaction被引量：37收藏
- 作者：Xu, Qin Wang, De Wei, Yin Shi, Min
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Chinese Acad Sci
- 来源：CHEMISTRYOPEN 2014
- 关键词：azomethine ylides bispirooxindoles cycloaddition stereochemistry substituted olefins
- Double-Stable Ce-Based Oxide: Capturing Atomic Precious Metals Via Ostwald Ripening for Multicomponent Three-Way Catalysts Construction被引量：35收藏
- 作者：Sun, Liwei Zhang, Zeshu Liu, Peng Bao, Feipeng Xu, Jianheng Wang, Dong Lou, Yang Zhang, Yibo Yang, Xiangguang
- 机构： Changchun Institute of Applied Chemistry; Ganjiang Innovation Academy; School of Chemistry and Molecular Engineering; School of Chemical and Material Engineering
- 来源：SSRN 2023
- 关键词：Atoms - Catalyst activity - Cerium oxide - Oxygen - Platinum - Sintering
- First-Principles Determination of CO Adsorption and Desorption on Pt(111) in the Free Energy Landscape被引量：34收藏
- 作者：Guo, Chenxi Wang, Ziyun Wang, Dong Wang, Hai-Feng Hu, P.
- 机构：Queens Univ Belfast;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2018
- 关键词：Calculations - Platinum compounds - Adsorption - Molecular dynamics - Catalysis - Free energy - Reaction kinetics
- 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
- Unraveling the Mechanism of Cu/CeO2 Interface Modulation for CO2 Electroreduction Into C2+/CH4被引量：32收藏
- 作者：Xiong, Lei Fu, Xianbiao Zhang, Jun Liu, Shuang Li, Shanshan Lu, Shaojie Wang, Dong Yue, Qin
- 机构：Univ Elect Sci & Technol China;Southwest Inst Chem Co Ltd;Sichuan Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ADVANCED FUNCTIONAL MATERIALS 2025
- 关键词：C2+/CH4 selectivity CO2RR Cu/CeO2 interface strong/weak adsorption
- Subtle Structure Matters: The Vicinity of Surface Ti5c Cations Alters the Photooxidation Behaviors of Anatase and Rutile TiO2 under Aqueous Environments被引量：23收藏
- 作者：Li, Fei Chen, Jian-Fu Gong, Xue-Qing Hu, P. Wang, Dong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS CATALYSIS 2022
- 关键词：photocatalytic OER water/TiO2 interface ab initio molecular dynamics microkinetic modeling density functional theory
- Insight into CO Activation over Cu(100) under Electrochemical Conditions被引量：23收藏
- 作者：Sheng, Tian Wang, Dong Lin, Wen-Feng Hu, P. Sun, Shi-Gang
- 机构：Xiamen Univ;E China Univ Sci & Technol;E China Univ Sci & Technol;Queens Univ Belfast;Univ Loughborough
- 来源：ELECTROCHIMICA ACTA 2016
- 关键词：CO2 copper electrode electroreduction density functional theory ab initio molecular dynamics
- Coordinating Interface Polymerization with Micelle Mediated Assembly Towards Two-Dimensional Mesoporous Carbon/CoNi for Advanced Lithium-Sulfur Battery被引量：23收藏
- 作者：Huang, Zheng Ma, Dongsheng Nian, Pei Zhou, Yu Wang, Dong Gong, Xueqing Wang, Zheng Yue, Qin
- 机构：Univ Elect Sci & Technol China;Ningxia Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：SMALL 2023
- 关键词：bimetallic CoNi nanoparticles catalytic polysulfides conversion lithium-sulfur batteries ordered mesoporous N-doped carbon
- Ceria Foam with Atomically Thin Single-Crystal Walls被引量：18收藏
- 作者：Xing, Jun Wang, Hai Feng Yang, Chen Wang, Dong Zhao, Hui Jun Lu, Guan Zhong Hu, P. Yang, Hua Gui
- 机构：E China Univ Sci & Technol;Queens Univ Belfast;E China Univ Sci & Technol;Griffith Univ
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2012
- 关键词：CeO2 density function theory foams single crystals
- Asymmetric coordinative modulation boosting the activity and thermal stability of Pt1/CeO2 for CO oxidation under harsh condition被引量：11收藏
- 作者：Ni, Lijun Zhou, Yuwei Tan, Wei Li, Hong Wang, Dong Zhang, Qi Yang, Bing Xu, Jing Zhang, Ying Pan, Chengsi Zhu, Yongfa Liu, Fudong Lou, Yang
- 机构：Jiangnan Univ;Jiangnan Univ;Nanjing Univ;Dalian Inst Chem Phys;East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2024
- 关键词：Single atom catalysts Surface coating Coordination configuration Low-temperature activity Thermal stability
- Subtle structure matters: boosting surface-directed photoelectron transfer via the introduction of specific monovalent oxygen vacancies in TiO2被引量：9收藏
- 作者：Li, Fei Wang, Dong Gong, Xue-Qing
- 机构：East China Univ Sci & Technol; East China Univ Sci & Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2021
- 关键词：Density functional theory - Electron transitions - Photons - Photocatalysis - Oxide minerals - Titanium dioxide - Calculations - Photoelectrons
- Clarifying the Direct Generation of ?OH Radicals in Photocatalytic O2 Reduction: Theoretical Prediction Combined with Experimental Validation被引量：8收藏
- 作者：Cheng, Qian Wei, Hehe Wang, Jinling Wang, Zhi-Qiang Gong, Xue-Qing Wang, Dong
- 机构：East China Univ Sci & Technol;Shanghai Jiao Tong Univ
- 来源：JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2024
- 关键词：Bioremediation - Electron resonance - Electron spin resonance spectroscopy - Hydrogenation - Paramagnetic resonance - Photocatalytic activity - Photodegradation - Photooxidation - Redox reactions
- A comparative study on the twinning boundaries of five-fold twinned copper and gold nanorods被引量：7收藏
- 作者：Nie, Ting Wang, Dong Gong, Xue-Qing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：APPLIED SURFACE SCIENCE 2021
- 关键词：Copper Gold Twinning boundary Evolutionary algorithm Force-field Density functional theory
- A novel mesoporous carbon pocket with single atom Cr sites for high performance Lithium-Sulfur battery被引量：6收藏
- 作者：Li, Zhenwen Li, Peng Huang, Zheng Wang, Dong Ma, Dongshen Zheng, Liyu Lu, Shaojie Yue, Qin
- 机构：Univ Elect Sci & Technol China;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2024
- 关键词：Carbon - Decay (organic) - Doping (additives) - Lithium batteries - Lithium compounds - Lithium sulfur batteries - Mesoporous materials - Micelles - Morphology - Reaction kinetics
- Photocatalytic Cleavage of C-H Bonds: A Case Study of Formaldehyde Photodegradation from Density Functional Theory被引量：6收藏
- 作者：Tao, Xiang-Peng Gong, Xue-Qing Wang, Dong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2023
- 关键词：Chemical bonds - Degradation - Density functional theory - Free radicals - Organic pollutants - Oxide minerals - Photocatalysis - Platinum - Reaction intermediates - Titanium dioxide - Water treatment
- Room-Temperature Single-Phase Synthesis of Semiconducting Metal-Covalent Organic Frameworks With Microenvironment-Tuned Photocatalytic Efficiency被引量：5收藏
- 作者：Wu, Dongchuang Zhang, Qiongshan Yin, Shiyu Song, Congying Gu, Ning Wang, Dong Cai, Tao Zhang, Bin
- 机构：East China Univ Sci & Technol;North Univ China;Wuhan Univ;East China Univ Sci & Technol
- 来源：SMALL METHODS 2025
- 关键词：crystallinity mechanism dynamic growth metal-covalent organic frameworks planarity-tuned growth single-phase synthesis
