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

文献类型：期刊论文

作者Li, Jin-Cheng1,2; Qin, Xueping3; Hou, Peng-Xiang1; Cheng, Min1; Shi, Chao1; Liu, Chang1; Cheng, Hui-Ming1; Shao, Minhua2,3
刊名CARBON
出版日期2019-06-01
卷号147页码:303-311
关键词Co-doped carbon Doping configuration Active site Oxygen reduction
ISSN号0008-6223
DOI10.1016/j.carbon.2019.01.018
通讯作者Liu, Chang(cliu@imr.ac.cn) ; Shao, Minhua(kemshao@ust.hk)
英文摘要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.
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
语种英语
WOS记录号WOS:000468156500035
出版者PERGAMON-ELSEVIER SCIENCE LTD
资助机构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
源URL[http://ir.imr.ac.cn/handle/321006/133619]  
专题金属研究所_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.

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来源：金属研究所

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