The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution

doi:10.1007/s12274-023-5859-8

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	The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution
	X. Bai, J. Y. Han, X. D. Niu and J. Q. Guan
	2023
发表期刊	Nano Research
ISSN	1998-0124
卷号	16 期号:8 页码:10796-10802
摘要	Developing transition metal-nitrogen-carbon materials (M-N-C) as electrocatalysts for the oxygen evolution reaction (OER) is significant for low-cost energy conversion systems. Further d-orbital adjustment of M center in M-N-C is beneficial to the improvement of OER performance. Herein, we synthesize a single-Mn-atom catalyst based on carbon skeleton (Mn-1-N2S2CX) with isolated Mn-N2S2 sites, which exhibits high alkaline OER activity (?(10) = 280 mV), low Tafel slope (44 mV.dec(-1)), and excellent stability. Theoretical calculations reveal the pivotal function of isolated Mn-N2S2 sites in promoting OER, including the adsorption kinetics of intermediates and activation mechanism of active sites. The doping of S causes the increase in both charge density and work function of active Mn center, and ortho-Mn-1-N2S2CX expresses the fastest OER kinetics due to the asymmetric plane.
DOI	10.1007/s12274-023-5859-8
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收录类别	sci
语种	英语
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文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/67337
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	X. Bai, J. Y. Han, X. D. Niu and J. Q. Guan. The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution[J]. Nano Research,2023,16(8):10796-10802.
APA	X. Bai, J. Y. Han, X. D. Niu and J. Q. Guan.(2023).The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution.Nano Research,16(8),10796-10802.
MLA	X. Bai, J. Y. Han, X. D. Niu and J. Q. Guan."The d-orbital regulation of isolated manganese sites for enhanced oxygen evolution".Nano Research 16.8(2023):10796-10802.

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