成果/Result
- Molecular-Level Insights into the Notorious CO Poisoning of Platinum Catalyst被引量：113收藏
- 作者：Chen, Wenyao Cao, Junbo Fu, Wenzhao Zhang, Jing Qian, Gang Yang, Jia Chen, De Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022
- 关键词：Activation Adsorption CO Poisoning Electrons Kinetics
- Ruthenium/TiO2-Catalyzed Hydrogenolysis of Polyethylene Terephthalate: Reaction Pathways Dominated by Coordination Environment被引量：93收藏
- 作者：Ye, Mingxing Li, Yurou Yang, Zhirong Yao, Chang Sun, Weixiao Zhang, Xiangxue Chen, Wenyao Qian, Gang Duan, Xuezhi Cao, Yueqiang Li, Lina Zhou, Xinggui Zhang, Jing
- 机构：East China Univ Sci & Technol;Chinese Acad Sci
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2023
- 关键词：Arenes Heterogeneous Catalysis Hydrogenolysis Plastic Ruthenium
- Promotional effects of multiwalled carbon nanotubes on iron catalysts for Fischer-Tropsch to olefins被引量：84收藏
- 作者：Zhang, Zhengpai Zhang, Jun Wang, Xu Si, Rui Xu, Jing Han, Yi-Fan
- 机构：East China Univ Sci & Technol;Chinese Acad Sci;Zhengzhou Univ
- 来源：JOURNAL OF CATALYSIS 2018
- 关键词：Iron nanoparticles Fischer-Tropsch Olefins FTO Multiwalled carbon nanotube Surface modification Metal-support interaction
- Chemical state of nitrogen in carbon aerogels issued from phenol-melamine-formaldehyde gels被引量：83收藏
- 作者：Long, Donghui Zhang, Jie Yang, Junhe Hu, Zijun Cheng, Guo Liu, Ximiao Zhang, Rui Zhan, Liang Qiao, Wenming Ling, Licheng
- 机构：E China Univ Sci & Technol;Shanghai Inst Technol;Aerosp Inst Mat & Proc Technol
- 来源：CARBON 2008
- Mechanism driven design of trimer Ni1Sb2 site delivering superior hydrogenation selectivity to ethylene被引量：77收藏
- 作者：Ge, Xiaohu Dou, Mingying Cao, Yueqiang Xi Liu Qiang Yuwen Jing Zhang Gang Qian Gong, Xueqing Zhou, Xinggui Chen, Liwei Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Shanghai Jiao Tong Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：NATURE COMMUNICATIONS 2022
- Increasing the Distance of Adjacent Palladium Atoms for Configuration Matching in Selective Hydrogenation被引量：70收藏
- 作者：Ge, Xiaohu Cao, Yueqiang Yan, Kelin Li, Yurou Zhou, Lihui Dai, Sheng Zhang, Jing Gong, Xueqing Qian, Gang Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 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：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022
- 关键词：Configuration Matching Intermetallic Compounds Local Environment Selective Hydrogenation Site Distance
- Tuning direct CO hydrogenation reaction over Fe-Mn bimetallic catalysts toward light olefins: effects of Mn promotion被引量：59收藏
- 作者：Yang, Zixu Zhang, Zhengpai Liu, Yitao Ding, Xiaoxu Zhang, Jun Xu, Jing Han, Yifan
- 机构：East China Univ Sci & Technol;SINOPEC Corp
- 来源：APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY 2021
- 关键词：Syngas Fischer-Tropsch synthesis Light olefins Fe-Mn bimetallic catalysts Structure transformation
- Enhanced acetylene semi-hydrogenation on a subsurface carbon tailored Ni-Ga intermetallic catalyst被引量：56收藏
- 作者：Ge, Xiaohu Ren, Zhouhong Cao, Yueqiang Liu, Xi Zhang, Jing Qian, Gang Gong, Xueqing Chen, Liwei Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Shanghai Jiao Tong Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF MATERIALS CHEMISTRY A 2022
- 关键词：Acetylene - Atoms - Binary alloys - Carbon - Catalyst selectivity - Electronic structure - Ethylene - Intermetallics - Lighting - Nickel - X ray absorption spectroscopy
- Computational exploration of magnesium-decorated carbon nitride (g-C3N4) monolayer as advanced energy storage materials被引量：54收藏
- 作者：Gao, Peng Li, Ji-wen Zhang, Jie Wang, Guangzhao
- 机构：Univ Wollongong;East China Univ Sci & Technol;Guangzhou Regenerat Med & Hlth Guangdong Lab;Northwest Normal Univ;Yangtze Normal Univ
- 来源：INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 2021
- 关键词：DFT Carbon nitride Hydrogen storage
- Molecular-level insights into the electronic effects in platinum-catalyzed carbon monoxide oxidation被引量：52收藏
- 作者：Chen, Wenyao Cao, Junbo Yang, Jia Cao, Yueqiang Zhang, Hao Jiang, Zheng Zhang, Jing Qian, Gang Zhou, Xinggui Chen, De Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Norwegian Univ Sci & Technol;Soochow Univ;Chinese Acad Sci;Chinese Acad Sci
- 来源：NATURE COMMUNICATIONS 2021
- Composition of the Green Oil in Hydrogenation of Acetylene over a Commercial Pd-Ag/Al2O3 Catalyst被引量：50收藏
- 作者：Zhang, Jian Sui, Zhijun Zhu, Yi-An Chen, De Zhou, Xinggui Yuan, Weikang
- 机构：E China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING & TECHNOLOGY 2016
- 关键词：Acetylene hydrogenation Green oil Pyrolysis GC-MS Pd-Ag catalyst
- Total hydrogenation of hydroxymethylfurfural via hydrothermally stable Ni catalysts and the mechanistic study被引量：44收藏
- 作者：Zhong, Fuzeyu Ge, Xiaohu Sun, Weixiao Du, Wei Sang, Keng Yao, Chang Cao, Yueqiang Chen, Wenyao Qian, Gang Duan, Xuezhi Yang, Zhirong Zhou, Xinggui Zhang, Jing
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2023
- 关键词：Layered double hydroxide 5-Bis-(hydroxymethyl) tetrahydrofuran Sintering Leaching Density functional theory
- Tailoring catalytic properties of V2O3 to propane dehydrogenation through single-atom doping: A DFT study被引量：41收藏
- 作者：Zhang, Jun Zhou, Rui-Jia Chang, Qing-Yu Sui, Zhi-Jun Zhou, Xing-Gui Chen, De Zhu, Yi-An
- 机构：East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：CATALYSIS TODAY 2021
- 关键词：Single-atom doping PDH Density functional theory Lewis acid-base interaction V2O3 catalyst
- MnOx promotional effects on olefins synthesis directly from syngas over bimetallic Fe-MnOx/SiO2 catalysts被引量：39收藏
- 作者：Zhang, Zhengpai Dai, Weiwei Xu, Xin-Chao Zhang, Jun Shi, Bianfang Xu, Jing Tu, Weifeng Han, Yi-Fan
- 机构：East China Univ Sci & Technol;Zhengzhou Univ
- 来源：AICHE JOURNAL 2017
- 关键词：syngas Fischer-Tropsch to olefins Fe-MnOx catalysts intrinsic kinetics mechanism
- Catalytic conversion of polyethylene into aromatics with Pt/ZSM-5: insights into reaction pathways and rate-controlling step regulation被引量：37收藏
- 作者：Wang, Wenjie Yao, Chang Ge, Xiaohu Pu, Xin Yuan, Jiangchun Sun, Weixiao Chen, Wenyao Feng, Xiang Qian, Gang Duan, Xuezhi Cao, Yueqiang Yang, Zhirong Zhou, Xinggui Zhang, Jing
- 机构：East China Univ Sci & Technol;China Univ Petr;Zhengzhou Univ
- 来源：JOURNAL OF MATERIALS CHEMISTRY A 2023
- 关键词：Activation energy - Aromatization - Atmospheric pressure - Crystal structure - Dehydrogenation - Density functional theory - Ethylene - Platinum - Pyrolysis - Reaction intermediates
- Leveraging the Proximity and Distribution of Cu-Cs Sites for Direct Conversion of Methanol to Esters/Aldehydes被引量：32收藏
- 作者：Chen, Wenyao Zuo, Ji Sang, Keng Qian, Gang Zhang, Jing Chen, De Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2024
- 关键词：Esters and Aldehydes Heterogeneous Catalysis Methanol One-Step Conversion Reaction Mechanisms
- effects of Oxygen Vacancy and Pt Doping on the Catalytic Performance of CeO2 in Propane Dehydrogenation: A First-Principles Study被引量：30收藏
- 作者：Zeeshan, Muhammad Chang, Qing-Yu Zhang, Jun Hu, Ping Sui, Zhi-Jun Zhou, Xing-Gui Chen, De Zhu, Yi-An
- 机构：East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：CHINESE JOURNAL OF CHEMISTRY 2021
- 关键词：Dehydrogenation Adsorption Doping Heterogeneous catalysis Ab initio calculations
- Ultrasonic synthesis of nitrogen-doped carbon nanofibers as platinum catalyst support for oxygen reduction被引量：30收藏
- 作者：Jiang, Yue Zhang, Jia Qin, Yuan-Hang Niu, Dong-Fang Zhang, Xin-Sheng Niu, Li Zhou, Xing-Gui Lu, Tian-Hong Yuan, Wei-Kang
- 机构：E China Univ Sci & Technol;Chinese Acad Sci;Nanjing Normal Univ
- 来源：JOURNAL OF POWER SOURCES 2011
- 关键词：Carbon nanofiber Nitrogen-doping Oxygen reduction reaction Electrocatalysis
- Embedding Single Pd Atoms on NiGa Intermetallic Surfaces for efficient and Selective Alkyne Hydrogenation被引量：30收藏
- 作者：Ge, Xiaohu Jing, Yundao Fei, Nina Yan, Kelin Liang, Yijing Cao, Yueqiang Zhang, Jing Qian, Gang Li, Lina Jiang, Hao Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Chinese Acad Sci;East China Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2024
- 关键词：Alkyne semi-hydrogenation Selectivity Ni-based catalyst Ensemble site Hydrogen dissociation
- Accurate predictions of aqueous solubility of drug molecules via the multilevel graph convolutional network (MGCN) and SchNet architectures被引量：29收藏
- 作者：Gao, Peng Zhang, Jie Sun, Yuzhu Yu, Jianguo
- 机构：Univ Wollongong;Guangzhou Regenerat Med & Hlth Guangdong Lab;East China Univ Sci & Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2020
- 关键词：Forecasting - Network architecture - Solubility - Convolution - Deep learning - Drug delivery
- Poisoning effect of polyvinyl chloride on the catalytic pyrolysis of mixed plastics over zeolites被引量：27收藏
- 作者：Yuan, Jiangchun Wang, Wenjie Sun, Weixiao Yang, Zhirong Cao, Yueqiang Chen, Wenyao Ge, Xiaohu Qian, Gang Feng, Xiang Duan, Xuezhi Zhou, Xinggui Van Geem, Kevin M. Zhang, Jing
- 机构：East China Univ Sci & Technol;Zhengzhou Univ;Univ Ghent;China Univ Petr
- 来源：SCIENCE CHINA-CHEMISTRY 2024
- 关键词：polyvinyl chloride polyethylene zeolite aromatics deactivation
- A general QSPR protocol for the prediction of atomic/inter-atomic properties: a fragment based graph convolutional neural network (F-GCN)被引量：23收藏
- 作者：Gao, Peng Zhang, Jie Qiu, Hongbo Zhao, Shuaifei
- 机构：Univ Wollongong;Ctr Chem & Chem Biol;East China Univ Sci & Technol;Monash Univ;Deakin Univ
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2021
- 关键词：Convolution - Density functional theory - Graph neural networks - Chemical bonds - Atoms - Computational chemistry - Design for testability - Computation theory - Convolutional neural networks
- Continuous synthesis of methyl ethyl ketone peroxide in a microreaction system with concentrated hydrogen peroxide被引量：23收藏
- 作者：Zhang, Jing Wu, Wei Qian, Gang Zhou, Xing-Gui
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF HAZARDOUS MATERIALS 2010
- 关键词：Microreactor Peroxidation Safety Methyl ethyl ketone Hydrogen peroxide
- Pt-O4 moiety induced electron localization toward In2O-Triggered acetylene Semi-Hydrogenation被引量：23收藏
- 作者：Li, Yurou Cao, Yueqiang Ge, Xiaohu Zhang, Hao Yan, Kelin Zhang, Jing Qian, Gang Jiang, Zheng Gong, Xueqing Li, Aoming Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Soochow Univ;Chinese Acad Sci;Chinese Acad Sci;East China Univ Sci & Technol
- 来源：JOURNAL OF CATALYSIS 2022
- 关键词：Acetylene semi-hydrogenation Pt-O-4 moiety Ensemble site H-2 activation Atomic layer deposition
- Liquid Flow and Mass Transfer Behaviors in a Butterfly-Shaped Microreactor被引量：22收藏
- 作者：Lv, Haicheng Yang, Zhirong Zhang, Jing Qian, Gang Duan, Xuezhi Shu, Zhongming Zhou, Xinggui
- 机构：East China Univ Sci & Technol
- 来源：MICROMACHINES 2021
- 关键词：millimeter-scale computational fluid dynamics (CFD) droplet liquid-liquid flow flow pattern and mass transfer
- Ultrathin cyclodextrin-based nanofiltration membrane with tunable microporosity for antibiotic desalination被引量：21收藏
- 作者：Zhou, Linlong Gu, Shuyun Xu, Fang Zhang, Jin Hu, Zheyi Li, Siyao Xu, Zhi
- 机构：East China Univ Sci & Technol;Nanjing Tech Univ
- 来源：JOURNAL OF MEMBRANE SCIENCE 2025
- 关键词：Interfacial polymerization Cyclodextrin-based membranes Ion separation Antibiotic desalination
- Al2O3 microrods supported Pd catalysts for semi-hydrogenation of acetylene: Acidic properties tuned reaction kinetics behaviors被引量：21收藏
- 作者：Yang, Zhirong Li, Yurou Cao, Yueqiang Zhao, Xingqiang Chen, Wenyao Zhang, Jing Qian, Gang Peng, Chong Gong, Xueqing Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Dalian Res Inst Petr & Petrochemicals;East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2022
- 关键词：Acetylene semi-hydrogenation Pd catalysts Al2O3 microrods Acidic properties Kinetics descriptor
- Restructuring the interfacial active sites to generalize the volcano curves for platinum-cobalt synergistic catalysis被引量：20收藏
- 作者：Chen, Wenyao Shi, Yao Liu, Changwei Ren, Zhouhong Huang, Zikun Chen, Zhou Zhang, Xiangxue Liang, Shanshan Xie, Lei Lian, Cheng Qian, Gang Zhang, Jing Liu, Xi Chen, De Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;Shanghai Jiao Tong Univ;Chinese Acad Sci;Norwegian Univ Sci & Technol
- 来源：NATURE COMMUNICATIONS 2024
- Pd Ensemble Sites Tuned Local Environment of Cu Catalysts for Matching Propyne Semi-Hydrogenation被引量：19收藏
- 作者：Yan, Kelin Ge, Xiaohu Cao, Yueqiang Qiang, Yuwen Zhang, Jing Dai, Sheng Qian, Gang Chen, De Zhou, Xinggui Yuan, Weikang Duan, Xuezhi
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2025
- 关键词：Configuration Ensemble sites Local environment Propyne semi-hydrogenation Reaction pathway
- Understanding the Dehydrogenation Pathways of Ammonium Octahydrotriborate (NH4B3H8) by Molecular Dynamics Simulations with the Reactive Force Field (ReaxFF)被引量：18收藏
- 作者：Gao, Peng Zhang, Jie
- 机构：Ctr Chem & Chem Biol;Univ Wollongong;East China Univ Sci & Technol
- 来源：ADVANCED THEORY AND SIMULATIONS 2020
- 关键词：dehydrogenation DFT molecular dynamics octahydrotriborate ReaxFF
