Engineering the coordination environment enables molybdenum single-atom catalyst for efficient oxygen reduction reaction

doi:10.1016/j.jcat.2020.05.034

	Engineering the coordination environment enables molybdenum single-atom catalyst for efficient oxygen reduction reaction
	Wang, Changlai 1,2; Wang, Dongdong 4; Liu, Shuai 2; Jiang, Peng 2; Lin, Zhiyu 2; Xu, Pengping 2; Yang, Kang 2; Lu, Jian 2; Tong, Huigang 2; Hu, Lin 3
刊名	JOURNAL OF CATALYSIS
	2020-09-01
卷号	389
关键词	Single-atom catalyst D-band center Reaction barrier DFT calculations Zn-air battery
ISSN号	0021-9517
DOI	10.1016/j.jcat.2020.05.034
通讯作者	Zhang, Wenjun(apwjzh@cityu.edu.hk) ; Chen, Qianwang(cqw@ustc.edu.cn)
英文摘要	With a half filled d-electron shell, molybdenum (Mo) plays an important role as catalysts in the petrochemical industry. However, Mo is generally regarded as not catalytically active for oxygen reduction reaction (ORR) compared with other transition metals such as Fe and Co. Inspired by molybdoenzymes, herein, we successfully endow Mo single-atom catalyst with highly ORR catalytic activity though engineering the coordination environment. This unique Mo single-atom catalyst consists of oxygen and nitrogen dual-component coordinated central Mo atom anchored on porous carbon (Mo-O/N-C), showing prominent ORR catalytic performance compared to the state-of-the-art Pt/C under alkaline condition. The extraordinary performance of Mo-O/N-C electrocatalyst is also demonstrated in Zn-air batteries as an air cathode. Density functional theory (DFT) calculations reveal the oxygen and nitrogen dual-component coordination could tailor the d-band center of Mo, subsequently optimizing its binding capability with reaction intermediates (O, OH and OOH*), hence accelerating overall ORR process. This work not only provides an efficient and commercially competitive ORR catalyst, but advancing further development of other electrocatalysts through engineering the coordination environment. (C) 2020 Published by Elsevier Inc.
资助项目	Hong Kong Scholars Program[XJ2019022] ; National Natural Science Foundation[51772283] ; National Natural Science Foundation[21972145] ; National Natural Science Foundation[51872249] ; Hefei Science Center CAS[2016HSC-IU011] ; National Key R&D Program of China[2016YFA0401801] ; Fundamental Research Funds for the Central Universities[WK2060140021] ; Key Lab of Photovoltaic and Energy Conservation Materials of Chinese Academy of Sciences[PECL2019QN004] ; General Research Fund[GRF CityU 11307619]
WOS关键词	CARBON ; PLATINUM ; ALLOY ; ELECTROCATALYSTS ; GRAPHENE ; METAL ; OXIDE
WOS研究方向	Chemistry ; Engineering
语种	英语
出版者	ACADEMIC PRESS INC ELSEVIER SCIENCE
WOS记录号	WOS:000566793900016
资助机构	Hong Kong Scholars Program ; National Natural Science Foundation ; Hefei Science Center CAS ; National Key R&D Program of China ; Fundamental Research Funds for the Central Universities ; Key Lab of Photovoltaic and Energy Conservation Materials of Chinese Academy of Sciences ; General Research Fund
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/104015]
专题	中国科学院合肥物质科学研究院
通讯作者	Zhang, Wenjun; Chen, Qianwang
作者单位	1.City Univ Hong Kong, Ctr Super Diamond & Adv Films COSDAF, Dept Mat Sci & Engn, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China 2.Univ Sci & Technol China, Dept Mat Sci & Engn, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China 3.Chinese Acad Sci, Hefei Inst Phys Sci, Anhui Key Lab Condensed Mater Phys Extreme Condit, High Magnet Field Lab, Hefei 230031, Anhui, Peoples R China 4.Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, 21 Nanyang Link, Singapore 637371, Singapore
推荐引用方式 GB/T 7714	Wang, Changlai,Wang, Dongdong,Liu, Shuai,et al. Engineering the coordination environment enables molybdenum single-atom catalyst for efficient oxygen reduction reaction[J]. JOURNAL OF CATALYSIS,2020,389.
APA	Wang, Changlai.,Wang, Dongdong.,Liu, Shuai.,Jiang, Peng.,Lin, Zhiyu.,...&Chen, Qianwang.(2020).Engineering the coordination environment enables molybdenum single-atom catalyst for efficient oxygen reduction reaction.JOURNAL OF CATALYSIS,389.
MLA	Wang, Changlai,et al."Engineering the coordination environment enables molybdenum single-atom catalyst for efficient oxygen reduction reaction".JOURNAL OF CATALYSIS 389(2020).