Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries

doi:10.1016/j.ensm.2022.07.024

IMR OpenIR

	Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries
	Xiao, Ru 1,2; Yu, Tong 1; Yang, Shan 1,3; Chen, Ke 1; Li, Zhuangnan 4; Liu, Zhibo 1; Hu, Tianzhao 1,5; Hu, Guangjian 1; Li, Jiong 6; Cheng, Hui -Ming 1,7; Sun, Zhenhua 1,2; Li, Feng 1,2
通讯作者	Sun, Zhenhua(zhsun@imr.ac.cn) ; Li, Feng(fli@imr.ac.cn)
	2022-10-01
发表期刊	ENERGY STORAGE MATERIALS
ISSN	2405-8297
卷号	51 页码:890-899
摘要	Electrocatalytically reducing the energy barrier for Li2S deposition/dissociation is a promising strategy for high -rate Li-S batteries. However, the catalytic sites would be covered by the insulating Li2S product during discharge, which deteriorates the catalytic activity. Here, suggested by first-principles calculations, single-atom copper (SA -Cu) was screened out to endow the insulator-to-metal transition of adsorbed Li2S in view of the electronic structure. In addition to the thermodynamically reduced redox energy barrier, metallic Li2S nuclei deposited on SA-Cu decorated nitrogen-doped carbon fiber foam (SA-Cu@NCNF) with favorable electronic transport present 3D spherical clusters rather than conventional 2D lateral morphology by continuous 3D nucleation and growth. The Li2S deposition capacity and the catalytic efficiency of Li2S-covered catalytic sites are thus greatly improved. As a result, SA-Cu@NCNF based Li-S cells with a sulfur loading of 4 mg cm- 2 retained an areal capacity of 1.60 mAh cm-2 at 5 C after 500 cycles (0.038% decay per cycle). A competitive areal capacity of 8.44 mAh cm-2 was obtained at 0.2 C with a sulfur loading of 10 mg cm-2. The demonstration of the distinctive design of catalysts to adjust the electronic structure of adsorbed Li2S paves the way for developing high-rate and long-life Li-S batteries.
关键词	Lithium-sulfur battery Single-atom catalysts Lithium sulfide Insulator-to-metal transition Redox reaction kinetics
资助者	National Natural Science Foundation of China ; Strategic Priority Research Program of Chinese Academy of Science ; Youth Innovation Promotion Association of the Chinese Academy of Sciences ; National Key R & D Program of China ; Liaoning Revitalization Talents Program ; DNL Cooperation Fund, CAS
DOI	10.1016/j.ensm.2022.07.024
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[52020105010] ; National Natural Science Foundation of China[51972313] ; National Natural Science Foundation of China[51927803] ; National Natural Science Foundation of China[52188101] ; National Natural Science Foundation of China[52072378] ; Strategic Priority Research Program of Chinese Academy of Science[XDA22010602] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[Y201942] ; National Key R & D Program of China[2021YFB2800200] ; National Key R & D Program of China[2021YFB3800301] ; Liaoning Revitalization Talents Program[XLYC2007080] ; Liaoning Revitalization Talents Program[XLYC1908015] ; DNL Cooperation Fund, CAS[DNL202019]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:000836906500002
出版者	ELSEVIER
引用统计	被引频次：85[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/321006/174615
专题	中国科学院金属研究所
通讯作者	Sun, Zhenhua; Li, Feng
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 230026, Peoples R China 3.Sichuan Univ, Sch Chem Engn, Chengdu 610065, Peoples R China 4.Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, London CB3 0FS, England 5.Zhengzhou Univ, Sch Mat Sci & Engn, Zhengzhou 450001, Peoples R China 6.Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai Synchrotron Radiat Facil, Shanghai 201210, Peoples R China 7.Chinese Acad Sci, Inst Technol Carbon Neutral, Shenzhen Inst Adv Technol, Shenzhen 518055, Peoples R China
推荐引用方式 GB/T 7714	Xiao, Ru,Yu, Tong,Yang, Shan,et al. Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries[J]. ENERGY STORAGE MATERIALS,2022,51:890-899.
APA	Xiao, Ru.,Yu, Tong.,Yang, Shan.,Chen, Ke.,Li, Zhuangnan.,...&Li, Feng.(2022).Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries.ENERGY STORAGE MATERIALS,51,890-899.
MLA	Xiao, Ru,et al."Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries".ENERGY STORAGE MATERIALS 51(2022):890-899.