Charge Distribution on S and Intercluster Bond Evolution in Mo6S8 during the Electrochemical Insertion of Small Cations Studied by X-ray Absorption Spectroscopy

doi:10.1021/acs.jpclett.8b03622

	Charge Distribution on S and Intercluster Bond Evolution in Mo6S8 during the Electrochemical Insertion of Small Cations Studied by X-ray Absorption Spectroscopy
	Yu, Pengfei 1,2; Long, Xinghui 1; Zhang, Nian 1; Feng, Xuefei 3; Fu, Jiamin1,4 ; Zheng, Shun 1; Ren, Guoxi 1; Liu, Zhi1,4 ; Wang, Cheng 3; Liu, Xiaosong1,2,4
	2019-03-21
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
ISSN	1948-7185
卷号	10 期号:6 页码:1159-1166
发表状态	已发表
DOI	10.1021/acs.jpclett.8b03622
摘要	Mo6S8 is regarded as a promising cathode material in rechargeable Mg batteries. Despite extensive studies, some fundamental questions are still unclarified, including the origination of the chemical stability, key factors inducing the structural evolution, and the factors determining the electrochemical reversibility. Herein Mo L-2,L-3 and S K-edge X-ray absorption spectroscopy are utilized to uncover the underlying mechanism. Two kinds of S with different effective charge are found, indicating the nonuniform charge distribution. With one cation inserted, the charge distribution becomes homogeneous, relevant to the chemical stability and electrochemical reversibility. The structural evolution is attributed to the change of bond length induced by the delocalization of inserted cations. Moreover, the evolution of intercluster Mo-Mo bond length can be revealed by the drastic change of the S K pre-edge and is closely related to the electrochemical reversibility. This study can shed light on the aforementioned questions and guide the development of Mg cathode material.
收录类别	SCI ; SCIE ; EI
语种	英语
资助项目	National Natural Science Foundation of China[21503263] ; National Natural Science Foundation of China[U1632269] ; National Natural Science Foundation of China[21473235] ; National Natural Science Foundation of China[11227902]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000463678800001
出版者	AMER CHEMICAL SOC
EI入藏号	20191006613369
EI主题词	Binary alloys ; Cathodes ; Charge distribution ; Chemical stability ; Magnesium ; Positive ions ; X ray absorption spectroscopy
WOS关键词	MOLYBDENUM CLUSTER CHALCOGENIDES ; LI+-ION INSERTIONS ; CHEVREL-PHASE ; ELECTRONIC-STRUCTURE ; SULFUR-K ; CATHODE MATERIALS ; CRYSTAL-STRUCTURE ; MG INSERTION ; METAL ; INTERCALATION
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/34261
专题	物质科学与技术学院_硕士生大科学中心_PI研究组_刘志组物质科学与技术学院_特聘教授组_刘啸嵩组
通讯作者	Yu, Pengfei; Liu, Xiaosong
作者单位	1.Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China 2.Tianmu Lake Inst Adv Energy Storage Technol, Liyang City 213300, Jiangsu, Peoples R China 3.Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA 4.Shanghai Tech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China
通讯作者单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Yu, Pengfei,Long, Xinghui,Zhang, Nian,et al. Charge Distribution on S and Intercluster Bond Evolution in Mo6S8 during the Electrochemical Insertion of Small Cations Studied by X-ray Absorption Spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2019,10(6):1159-1166.
APA	Yu, Pengfei.,Long, Xinghui.,Zhang, Nian.,Feng, Xuefei.,Fu, Jiamin.,...&Liu, Xiaosong.(2019).Charge Distribution on S and Intercluster Bond Evolution in Mo6S8 during the Electrochemical Insertion of Small Cations Studied by X-ray Absorption Spectroscopy.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,10(6),1159-1166.
MLA	Yu, Pengfei,et al."Charge Distribution on S and Intercluster Bond Evolution in Mo6S8 during the Electrochemical Insertion of Small Cations Studied by X-ray Absorption Spectroscopy".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10.6(2019):1159-1166.