An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytest

doi:10.1039/c7cp05253g

QIBEBT-IR > 仿生与固态能源系统研究组

	An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytest
	Chen, Bingbing 1; Ju, Jiangwei 1; Ma, Jun 1; Zhang, Jianjun 1; Xiao, Ruijuan 2; Cui, Guanglei1 ; Chen, Liquan 2
	2017-12-14
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
卷号	19 期号:46 页码:31436-31442
摘要	Density functional theory simulations and experimental studies were performed to investigate the interfacial properties, including Lithium ion migration kinetics, between Lithium metal anode and saki electrolyte Li10GeP2S12(LGPS). The LGPS[001] Wane was chosen as the studied surface because the easiest Li+ migration pathway is along this direction. The electronic structure of the surface states indicated that the electrochemical stability was reduced at both the PS4- and GeS4-teminated surfaces. For the interface cases, the equilibrium interfacial structures of Lithium metal against the PS4-terminated LGPS[001] surface (Li/PS4 LGPS) and the GeS4-terminated LGPS[001] surface (Li/GeS4 LGPS) were revealed based on the structural relaxation and adhesion energy analysis. Solid electrolyte interphases were expected to be formed at both Li/PS4- LGPS and Li/GeS4-LGPS interfaces, resulting in an unstable state of interface and Large interfacial resistance, which was verified by the EIS results of the Li/LGPS/Li cell. In addition, the simulations of the migration kinetics show that the energy barriers for Li+ crossing the Li/GeS4 LGPS interface were relatively Low compared with the Li/PS4 LGPS interface. This may contribute to the formation of Ge-rich phases at the Li/LGPS interface, which can tune the interfacial structures to improve the ionic conductivity for future all-solid-state batteries. This work will offer a thorough understanding of the Li/LGPS interface, including local structures, electronic states and Li+ diffusion behaviors in all-solid-state batteries.
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1039/c7cp05253g
关键词[WOS]	ION BATTERY ; CONDUCTOR LI10GEP2S12 ; SUPERIONIC CONDUCTOR ; STABILITY ; STORAGE ; LAYER ; ANODE
收录类别	SCI
语种	英语
WOS研究方向	Chemistry ; Physics
项目资助者	National Natural Science Foundation for Distinguished Young Scholars of China(51625204) ; National Natural Science Foundation of China(51502319) ; Qingdao Key Lab of Solar Energy Utilization & Energy Storage Technology ; China Postdoctoral Science Foundation - Chinese Academy of Sciences (CPSF-CAS) Joint Foundation for Excellent Postdoctoral Fellows ; China Postdoctoral Science Foundation(2017M612366)
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000416425400046
出版者	ROYAL SOC CHEMISTRY
引用统计
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/10478
专题	仿生与固态能源系统研究组
通讯作者	Xiao, Ruijuan; Cui, Guanglei
作者单位	1.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao Ind Energy Storage Res Inst, Qingdao 266101, Peoples R China 2.Chinese Acad Sci, Beijing Key Lab New Energy Mat & Devices, Natl Lab Condensed Matter Phys, Key Lab Renewable Energy,Inst Phys, Beijing, Peoples R China
推荐引用方式 GB/T 7714	Chen, Bingbing,Ju, Jiangwei,Ma, Jun,et al. An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytest[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(46):31436-31442.
APA	Chen, Bingbing.,Ju, Jiangwei.,Ma, Jun.,Zhang, Jianjun.,Xiao, Ruijuan.,...&Chen, Liquan.(2017).An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytest.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(46),31436-31442.
MLA	Chen, Bingbing,et al."An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytest".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.46(2017):31436-31442.