Oxidative stability and reduction decomposition mechanism studies on a novel salt: lithium difluoro(sulfato)borate

doi:10.1039/c4ra14057e

CORC > 兰州理工大学 > 兰州理工大学 > 石油化工学院

	Oxidative stability and reduction decomposition mechanism studies on a novel salt: lithium difluoro(sulfato)borate
	Li, Shiyou; Li, Xiaopeng; Zhang, Hongming; Mao, Liping; Cui, Xiaoling
刊名	RSC ADVANCES
	2015
卷号	5 期号:23 页码:18000-18007
ISSN号	2046-2069
DOI	10.1039/c4ra14057e
英文摘要	Lithium difluoro(sulfato) borate (LiBF2SO4) is a novel salt designed for battery electrolyte usage. Limited information is currently available, however, regarding its structure and chemical characteristics. The density functional theory calculation has therefore been used to explore both the oxidative stability and the reduction decomposition mechanism of LiBF2SO4. The results show that the oxidation potential (E-OX) for LiBF2SO4 could be calculated using the correlation between the highest occupied molecular orbital energy and the corresponding E-OX. In addition, the reduction decomposition mechanism of LiBF2SO4, particularly at a high potential of about 1.7 V (vs. Li/Li+) during the first discharge, has been calculated. In addition, many other electrolyte salts have also been investigated, to broaden the current knowledge of the use of chelato-borates as electrolyte components, to design and select high-performance electrolyte salts for lithium ion batteries, and to predict the chemical and physical characteristics of screening electrolyte salts, with the intent of using this induction for up-coming projected studies.
资助项目	Science and Technology Planning Project of Gansu Province[1310RJZA043] ; Natural Science Foundation of China[21406100] ; Science and Technology Support Project of Gansu Province[144GKCB029]
WOS研究方向	Chemistry
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000349557400079
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/34153]
专题	石油化工学院
通讯作者	Cui, Xiaoling
作者单位	Lanzhou Univ Technol, Coll Petrochem Technol, Lanzhou 730050, Peoples R China
推荐引用方式 GB/T 7714	Li, Shiyou,Li, Xiaopeng,Zhang, Hongming,et al. Oxidative stability and reduction decomposition mechanism studies on a novel salt: lithium difluoro(sulfato)borate[J]. RSC ADVANCES,2015,5(23):18000-18007.
APA	Li, Shiyou,Li, Xiaopeng,Zhang, Hongming,Mao, Liping,&Cui, Xiaoling.(2015).Oxidative stability and reduction decomposition mechanism studies on a novel salt: lithium difluoro(sulfato)borate.RSC ADVANCES,5(23),18000-18007.
MLA	Li, Shiyou,et al."Oxidative stability and reduction decomposition mechanism studies on a novel salt: lithium difluoro(sulfato)borate".RSC ADVANCES 5.23(2015):18000-18007.