气候变化领域集成服务门户(CCPortal): Alkoxy-functionalized ionic liquid electrolytes: Understanding ionic coordination of calcium ion speciation for the rational design of calcium electrolytes

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DOI	10.1039/d0ee00831a
	Alkoxy-functionalized ionic liquid electrolytes: Understanding ionic coordination of calcium ion speciation for the rational design of calcium electrolytes
	Gao X.; Liu X.; Mariani A.; Elia G.A.; Lechner M.; Streb C.; Passerini S.
发表日期	2020
ISSN	17545692
起始页码	2559
结束页码	2569
卷号	13 期号:8
英文摘要	There is growing interest in the rational design of electrolytes for multivalent-ion batteries by tuning the molecular-level interactions of solvate species present in the electrolytes. Herein, we report our effort to control Ca-ion speciation in ionic liquid (IL) based electrolytes through the design of alkoxy-functionalized cations. Quantitative analysis reveals that the alkoxy-functionalized ammonium cation (N07+), bearing seven ether oxygen atoms, can effectively displace the bis(trifluoromethanesulfonyl)imide anion (TFSI-) from the Ca2+ ion coordination sphere, facilitating the reversible Ca deposition/stripping process. More importantly, post-analysis of Ca deposits surface chemistry and density functional theory calculations of Ca-ion speciation indicate the formation of an organic-rich, but inorganic-poor solid electrolyte interphase layer, which enables Ca2+ ion diffusion rather than passivating the Ca metal electrode. Finally, as a proof-of-concept, a prototype Ca/V2O5 cell using the optimized IL-based electrolyte ([Ca(BH4)2]0.05[N07TFSI]0.95) is demonstrated for the first time, exhibiting a remarkable initial discharge capacity of 332 mA h g-1 and reversible capacity of 244 mA h g-1. © 2020 The Royal Society of Chemistry.
英文关键词	Calcium; Chemical analysis; Ionic liquids; Positive ions; Solid electrolytes; Surface chemistry; Ammonium cations; Bis(trifluoromethane sulfonyl)imide; Coordination sphere; Functionalized ionic liquids; Initial discharge capacities; Molecular level interactions; Reversible capacity; Solid electrolyte interphase; Density functional theory; chemical compound; detection method; electrolyte; ionic liquid; quantitative analysis; speciation (chemistry)
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/189593
作者单位	Helmholtz Institute Ulm (HIU), Helmholtzstrasse 11, Ulm, 89081, Germany; Karlsruhe Institute of Technology (KIT), P.O. Box 3640, Karlsruhe, 76021, Germany; Institute of Inorganic Chemistry i, Ulm University, Albert-Einstein-Allee 11, Ulm, 89081, Germany
推荐引用方式 GB/T 7714	Gao X.,Liu X.,Mariani A.,et al. Alkoxy-functionalized ionic liquid electrolytes: Understanding ionic coordination of calcium ion speciation for the rational design of calcium electrolytes[J],2020,13(8).
APA	Gao X..,Liu X..,Mariani A..,Elia G.A..,Lechner M..,...&Passerini S..(2020).Alkoxy-functionalized ionic liquid electrolytes: Understanding ionic coordination of calcium ion speciation for the rational design of calcium electrolytes.Energy & Environmental Science,13(8).
MLA	Gao X.,et al."Alkoxy-functionalized ionic liquid electrolytes: Understanding ionic coordination of calcium ion speciation for the rational design of calcium electrolytes".Energy & Environmental Science 13.8(2020).