曹宵鸣 收藏
(2011-09-01 任职于 化学与分子工程学院)
曹宵鸣 博士，男，副教授，硕士生导师。 主要研究方向及学术成绩： 专业研究方向为理论催化和计算化学，主要从事利用密度泛函理论量子化学计算结合微动力学分析从多尺度进行多相催化以及电催化的反应过程理论计算模拟研究和催化剂理论设计的研究工作，探索催化反应反应机理活性选择性变化规律，发展新的理论方法拓展研究体系从气固界面至液固界面，并对多相催化剂理性筛选方法开展了一定研究。 近5年内在物理化学及催化化学领域内国际专业著名期刊共发表... 详细>>
- Amorphous Metal-Free Room-Temperature Phosphorescent Small Molecules with Multicolor Photoluminescence via a Host-Guest and Dual-Emission Strategy被引量：556收藏
- 作者：Li, Dengfeng Lu, Feifei Wang, Jie Hu, Wende Cao, Xiao-Ming Ma, Xiang Tian, He
- 机构：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 2018
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- CoNiSe2 heteronanorods decorated with layered-double-hydroxides for efficient hydrogen evolution被引量：215收藏
- 作者：Yang, Yaqing Zhang, Wenbiao Xiao, Yongle Shi, Zhangping Cao, Xiaoming Tang, Yi Gao, Qingsheng
- 机构：Jinan Univ;Fudan Univ;Fudan Univ;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：APPLIED CATALYSIS B-ENVIRONMENTAL 2019
- 关键词：Hydrogen evolution reaction Metal selenides Layered-double-hydroxides Heterostructures Synergic effects
- 质疑
- Dealuminated Beta zeolite reverses Ostwald ripening for durable copper nanoparticle catalysts被引量：187收藏
- 作者：Liu, Lujie Lu, Jiaye Yang, Yahui Ruettinger, Wolfgang Gao, Xinhua Wang, Ming Lou, Hao Wang, Zhandong Liu, Yifeng Tao, Xin Li, Lina Wang, Yong Li, Hangjie Zhou, Hang Wang, Chengtao Luo, Qingsong Wu, Huixin Zhang, Kaidi Ma, Jiabi Cao, Xiaoming Wang, Liang Xiao, Feng-Shou
- 机构：Zhejiang Univ;East China Univ Sci & Technol;BASF Adv Chem Co Ltd;Ningxia Univ;Beijing Inst Technol
- 来源：SCIENCE 2024
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- Molecular-Level Insight into Selective Catalytic Reduction of NOx with NH3 to N2 over a Highly Efficient Bifunctional Vα-MnOx Catalyst at Low Temperature被引量：118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：Univ Jinan;East China Univ Sci & Technol;East China Univ Sci & Technol;Chinese Acad Sci;Univ Aberdeen
- 来源：ACS CATALYSIS 2018
- 关键词：nitrogen oxides selective catalytic reduction bifunctional catalyst density functional theory mechanism
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- Synergistic effect of dual active sites over Ru/a-MoC for accelerating alkaline hydrogen evolution reaction被引量：100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：Fudan Univ;East China Univ Sci & Technol;Fudan Univ;Jinan Univ
- 来源：APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY 2022
- 关键词：Hydrogen evolution reaction a-MoC Ruthenium (Ru) Synergistic effect Dual active sites
- 质疑
- 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
- 质疑
- Synthesis and structures of gold and copper carbene intermediates in catalytic amination of alkynes被引量：93收藏
- 作者：Wang, Jiwei Cao, Xiaoming Lv, Shichang Zhang, Caiyun Xu, Sheng Shi, Min Zhang, Jun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol;Chinese Acad Sci
- 来源：NATURE COMMUNICATIONS 2017
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- Ultralow-temperature CO oxidation on an In2O3-Co3O4 catalyst: a strategy to tune CO adsorption strength and oxygen activation simultaneously被引量：77收藏
- 作者：Lou, Yang Cao, Xiao-Ming Lan, Jinggang Wang, Li Dai, Qiguang Guo, Yun Ma, Jian Zhao, Zhenyang Guo, Yanglong Hu, P. Lu, Guanzhong
- 机构：E China Univ Sci & Technol;Queens Univ Belfast
- 来源：CHEMICAL COMMUNICATIONS 2014
- 质疑
- 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
- 质疑
- Boosting electromagnetic enhancement for detection of non-adsorbing analytes on semiconductor SERS substrates被引量：68收藏
- 作者：Liu, Xinyu Ye, Ziwei Xiang, Qian Xu, Zehong Yue, Wenhui Li, Chunchun Xu, Yikai Wang, Lingzhi Cao, Xiaoming Zhang, Jinlong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Queens Univ Belfast
- 来源：CHEM 2023
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
