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Reaction Mechanisms of Well-Defined Metal-N-4 Sites in Electrocatalytic CO2 Reduction

文献类型：期刊论文

作者Zhang, Zheng1,3; Xiao, Jianping2; Chen, Xue-Jiao1; Yu, Song1; Yu, Liang3; Si, Rui4; Wang, Yong1,3; Wang, Suheng1,3; Meng, Xianguang3; Wang, Ye1
刊名ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
出版日期2018-12-10
卷号57期号:50页码:16339-16342
ISSN号1433-7851
关键词cobalt density-functional calculations electrochemistry reaction mechanisms reduction
DOI10.1002/anie.201808593
通讯作者Deng, Dehui(dhdeng@dicp.ac.cn)
英文摘要Electrocatalytic CO2 reduction to CO emerges as a potential route of utilizing emitted CO2. Metal-N-C hybrid structures have shown unique activities, however, the active centers and reaction mechanisms remain unclear because of the ambiguity in true atomic structures for the prepared catalysts. Herein, combining density-functional theory calculations and experimental studies, the reaction mechanisms for well-defined metal-N-4 sites were explored using metal phthalocyanines as model catalysts. The theoretical calculations reveal that cobalt phthalocyanine exhibits the optimum activity for CO2 reduction to CO because of the moderate *CO binding energy at the Co site, which accommodates the *COOH formation and the *CO desorption. It is further confirmed by experimental studies, where cobalt phthalocyanine delivers the best performance, with a maximal CO Faradaic efficiency reaching 99%, and maintains stable performance for over 60 hours.
WOS关键词ELECTROREDUCTION ; PHTHALOCYANINE ; CONVERSION ; CATALYSIS ; PORPHYRIN ; METHANE
资助项目Ministry of Science and Technology of China[2016YFA0204100] ; Ministry of Science and Technology of China[2016YFA0200200] ; National Natural Science Foundation of China[21573220] ; National Natural Science Foundation of China[21621063] ; National Natural Science Foundation of China[21802124] ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences[QYZDB-SSW-JSC020] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDA09030100] ; Westlake Education Foundation
WOS研究方向Chemistry
语种英语
出版者WILEY-V C H VERLAG GMBH
WOS记录号WOS:000453346300013
资助机构Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Westlake Education Foundation ; Westlake Education Foundation ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Westlake Education Foundation ; Westlake Education Foundation ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Westlake Education Foundation ; Westlake Education Foundation ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Westlake Education Foundation ; Westlake Education Foundation
源URL[http://cas-ir.dicp.ac.cn/handle/321008/166428]  
专题大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者Deng, Dehui
作者单位1.Xiamen Univ, Coll Chem & Chem Engn, Collaborat Innovat Ctr Chem Energy Mat iChEM, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China
2.Westlake Univ, Sch Sci, Westlake Inst Adv Study, Inst Nat Sci, Hangzhou 310024, Zhejiang, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, Collaborat Innovat Ctr Chem Energy Mat iChEM, State Key Lab Catalysis, Dalian 116023, Peoples R China
4.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Zheng,Xiao, Jianping,Chen, Xue-Jiao,et al. Reaction Mechanisms of Well-Defined Metal-N-4 Sites in Electrocatalytic CO2 Reduction[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2018,57(50):16339-16342.
APA Zhang, Zheng.,Xiao, Jianping.,Chen, Xue-Jiao.,Yu, Song.,Yu, Liang.,...&Deng, Dehui.(2018).Reaction Mechanisms of Well-Defined Metal-N-4 Sites in Electrocatalytic CO2 Reduction.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,57(50),16339-16342.
MLA Zhang, Zheng,et al."Reaction Mechanisms of Well-Defined Metal-N-4 Sites in Electrocatalytic CO2 Reduction".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57.50(2018):16339-16342.

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来源：大连化学物理研究所

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