气候变化领域集成服务门户(CCPortal): Layered LiTiO2 for the protection of Li2S cathodes against dissolution: Mechanisms of the remarkable performance boost

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DOI	10.1039/c8ee00419f
	Layered LiTiO2 for the protection of Li2S cathodes against dissolution: Mechanisms of the remarkable performance boost
	Wu F.; Pollard T.P.; Zhao E.; Xiao Y.; Olguin M.; Borodin O.; Yushin G.
发表日期	2018
ISSN	17545692
起始页码	807
结束页码	817
卷号	11 期号:4
英文摘要	Lithium sulfide (Li2S) cathodes have been viewed as very promising candidates for next-generation lightweight Li and Li-ion batteries. Prior work on the deposition of carbon shells around Li2S particles showed reduced dissolution of polysulfides and improved cathode stability. However, due to the substantial volume changes during cycling and the low chemical binding energy between carbon and sulfides, defects almost inevitably forming in the carbon shell during battery operation commonly lead to premature cell failure. In this study, we show that conformal coatings of layered LiTiO2 may offer better protection against polysulfide dissolution and the shuttle effects. Density functional theory (DFT) calculations revealed that LiTiO2 exhibits a strong affinity for sulfur species (Li2Sx) and, most importantly, induces a rapid conversion of longer (highly soluble) polysulfides to short polysulfides, which exhibit minimum solubility in electrolytes. Quite remarkably, even the mere presence of the electronically conductive layered oxides (LiMO2, M = metal) such as LiTiO2 in the cathodes (e.g., as a component of the mix with Li2S) enhanced the cell rate and cycling stability dramatically. Advanced material characterization in combination with quantum chemistry calculations provided unique insights into the mechanisms of the incredible performance boost, such as interactions between Li2Sx and the LiTiO2 surface, leading to breakage of S-S bonds. © 2018 The Royal Society of Chemistry.
英文关键词	Binding energy; Cathodes; Density functional theory; Dissolution; Lithium-ion batteries; Polysulfides; Quantum chemistry; Sulfur compounds; Titanium compounds; Advanced materials; Battery operation; Chemical binding; Conformal coatings; Cycling stability; Lithium sulfides; Quantum chemistry calculations; Rapid conversion; Lithium compounds; carbon; chemical binding; chemistry; dissolution; electrode; electrolyte; equipment; inorganic compound; operations technology; performance assessment; solubility; sulfide
语种	英语
来源期刊	Energy & Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/190279
作者单位	School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332, United States; Electrochemistry Branch, Army Research Laboratory, Adelphi, MD 20783, United States
推荐引用方式 GB/T 7714	Wu F.,Pollard T.P.,Zhao E.,et al. Layered LiTiO2 for the protection of Li2S cathodes against dissolution: Mechanisms of the remarkable performance boost[J],2018,11(4).
APA	Wu F..,Pollard T.P..,Zhao E..,Xiao Y..,Olguin M..,...&Yushin G..(2018).Layered LiTiO2 for the protection of Li2S cathodes against dissolution: Mechanisms of the remarkable performance boost.Energy & Environmental Science,11(4).
MLA	Wu F.,et al."Layered LiTiO2 for the protection of Li2S cathodes against dissolution: Mechanisms of the remarkable performance boost".Energy & Environmental Science 11.4(2018).