Identification of active sites in nitrogen and sulfur co-doped carbon-based oxygen reduction catalysts

doi:10.1016/j.carbon.2019.01.018

IMR OpenIR

	Identification of active sites in nitrogen and sulfur co-doped carbon-based oxygen reduction catalysts
	Li, Jin-Cheng 1,2; Qin, Xueping 3; Hou, Peng-Xiang 1; Cheng, Min 1; Shi, Chao 1; Liu, Chang 1; Cheng, Hui-Ming 1; Shao, Minhua 2,3
通讯作者	Liu, Chang(cliu@imr.ac.cn) ; Shao, Minhua(kemshao@ust.hk)
	2019-06-01
发表期刊	CARBON
ISSN	0008-6223
卷号	147 页码:303-311
摘要	Different heteroatoms co-doped carbons are a burgeoning class of metal-free catalysts to replace Pt for the oxygen reduction reaction (ORR), but the lack of understanding of active sites delays their further improvement. Here we combined experimental designs and theoretical simulations with attempts to understand the correlation between N and/or S doping configurations and their catalytic activities. The results indicated that there is no obvious synergistic effect between N and S co-doping, in contrast with previous observations. S doping followed by N doping contributes to a large pyridinic N content in the catalyst due to the low formation energy for N to substitute doped S, leading to greatly enhanced ORR activity. Inversely, N doping followed by S doping takes pyridinic N away, resulting in an obvious ORR performance loss. Therefore, the doping sequence of S and N is crucial for the ORR activity of the co-doped catalysts. Furthermore, the pyridinic N is determined as the active functional group in N, S co-doped carbons by first-principle density functional theory calculations. (C) 2019 Elsevier Ltd. All rights reserved.
关键词	Co-doped carbon Doping configuration Active site Oxygen reduction
资助者	National Natural Science Foundation of China ; National Key R&D Program of China ; Ministry of Science and Technology of China ; Guangdong Special Fund for Science and Technology Development (Hong Kong Technology Cooperation Funding Scheme) ; Research Grant Council of the Hong Kong Special Administrative Region
DOI	10.1016/j.carbon.2019.01.018
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51521091] ; National Natural Science Foundation of China[51532008] ; National Natural Science Foundation of China[51572264] ; National Natural Science Foundation of China[51625203] ; National Natural Science Foundation of China[51772303] ; National Key R&D Program of China[2017YFB0102900] ; Ministry of Science and Technology of China[2016YFA0200102] ; Guangdong Special Fund for Science and Technology Development (Hong Kong Technology Cooperation Funding Scheme)[201704030065] ; Guangdong Special Fund for Science and Technology Development (Hong Kong Technology Cooperation Funding Scheme)[201704030019] ; Guangdong Special Fund for Science and Technology Development (Hong Kong Technology Cooperation Funding Scheme)[201604030012] ; Research Grant Council of the Hong Kong Special Administrative Region[N_HKUST610/17]
WOS研究方向	Chemistry ; Materials Science
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary
WOS记录号	WOS:000468156500035
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：51[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/133620
专题	中国科学院金属研究所
通讯作者	Liu, Chang; Shao, Minhua
作者单位	1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China 2.Hong Kong Univ Sci & Technol, Fok Ying Tung Res Inst, Guangzhou 511458, Guangdong, Peoples R China 3.Hong Kong Univ Sci & Technol, Dept Chem & Biol Engn, Kowloon, Clear Water Bay, Hong Kong, Peoples R China
推荐引用方式 GB/T 7714	Li, Jin-Cheng,Qin, Xueping,Hou, Peng-Xiang,et al. Identification of active sites in nitrogen and sulfur co-doped carbon-based oxygen reduction catalysts[J]. CARBON,2019,147:303-311.
APA	Li, Jin-Cheng.,Qin, Xueping.,Hou, Peng-Xiang.,Cheng, Min.,Shi, Chao.,...&Shao, Minhua.(2019).Identification of active sites in nitrogen and sulfur co-doped carbon-based oxygen reduction catalysts.CARBON,147,303-311.
MLA	Li, Jin-Cheng,et al."Identification of active sites in nitrogen and sulfur co-doped carbon-based oxygen reduction catalysts".CARBON 147(2019):303-311.