Li-Ion solvation in propylene carbonate electrolytes determined by molecular rotational measurements

doi:10.1039/c8cp07552b

	Li-Ion solvation in propylene carbonate electrolytes determined by molecular rotational measurements
	Jiang, Haotian 1,2; Zhang, Qi 1; Zhang, Yutong 1; Sui, Laizhi 1; Wu, Guorong 1; Yuan, Kaijun 1; Yang, Xueming 1
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2019-05-28
卷号	21 期号:20 页码:10417-10422
ISSN号	1463-9076
DOI	10.1039/c8cp07552b
通讯作者	Yuan, Kaijun(kjyuan@dicp.ac.cn)
英文摘要	Lithium-ion batteries are an attractive power source for a wide variety of applications. Expanding the performance limit of current Li-ion batteries requires ion-solvent interaction, which governs the ion transport behavior of electrolytes, to be fully understood. We herein examine the coordination number of the Li+ ion in LiPF6-PC solutions using femtosecond vibrational spectroscopy. Surprisingly, we found that the coordination number of PC in the first solvation shell of Li+ decreases from 4 to 2 as the salt concentration increases. At dilute salt concentrations, the Li(PC)(4)(+) complex with a tetrahedral geometry is dominant, while at high salt concentrations, the presence of anions in the first solvation shell modifies the solvation structure, leading only 2 PC molecules to coordinate to Li+ directly. The variety of the solvation structure provides a rational explanation for the ionic conductivity changing as the salt concentration increases.
资助项目	National Natural Science Foundation of China (NSFC)[21873099] ; National Natural Science Foundation of China (NSFC)[21673232] ; National Natural Science Foundation of China (NSFC)[21373213] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB17000000] ; Chemical Dynamics Research Center[21688102] ; Youth Innovation Promotion Association[2014160]
WOS关键词	ETHYLENE CARBONATE ; LITHIUM PERCHLORATE ; LIQUID ELECTROLYTES ; SOLVENT INTERACTION ; LIPF6 ; LIBF4 ; CONDUCTIVITY ; DYNAMICS ; ENERGY
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000476561000016
资助机构	National Natural Science Foundation of China (NSFC) ; National Natural Science Foundation of China (NSFC) ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Chemical Dynamics Research Center ; Chemical Dynamics Research Center ; Youth Innovation Promotion Association ; Youth Innovation Promotion Association ; National Natural Science Foundation of China (NSFC) ; National Natural Science Foundation of China (NSFC) ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Chemical Dynamics Research Center ; Chemical Dynamics Research Center ; Youth Innovation Promotion Association ; Youth Innovation Promotion Association ; National Natural Science Foundation of China (NSFC) ; National Natural Science Foundation of China (NSFC) ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Chemical Dynamics Research Center ; Chemical Dynamics Research Center ; Youth Innovation Promotion Association ; Youth Innovation Promotion Association ; National Natural Science Foundation of China (NSFC) ; National Natural Science Foundation of China (NSFC) ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Chemical Dynamics Research Center ; Chemical Dynamics Research Center ; Youth Innovation Promotion Association ; Youth Innovation Promotion Association
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/173730]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Yuan, Kaijun
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Liaoning Univ, Dept Phys, 66 Chongshan Rd, Shenyang 110036, Peoples R China
推荐引用方式 GB/T 7714	Jiang, Haotian,Zhang, Qi,Zhang, Yutong,et al. Li-Ion solvation in propylene carbonate electrolytes determined by molecular rotational measurements[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2019,21(20):10417-10422.
APA	Jiang, Haotian.,Zhang, Qi.,Zhang, Yutong.,Sui, Laizhi.,Wu, Guorong.,...&Yang, Xueming.(2019).Li-Ion solvation in propylene carbonate electrolytes determined by molecular rotational measurements.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,21(20),10417-10422.
MLA	Jiang, Haotian,et al."Li-Ion solvation in propylene carbonate electrolytes determined by molecular rotational measurements".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.20(2019):10417-10422.