气候变化领域集成服务门户(CCPortal): The nanoscale structure of the electrolyte-metal oxide interface

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DOI	10.1039/c7ee02724a
	The nanoscale structure of the electrolyte-metal oxide interface
	Steinrück H.-G.; Cao C.; Tsao Y.; Takacs C.J.; Konovalov O.; Vatamanu J.; Borodin O.; Toney M.F.
发表日期	2018
ISSN	17545692
起始页码	594
结束页码	602
卷号	11 期号:3
英文摘要	Electrolyte ordering near solid surfaces is of vital importance in diverse fields, ranging from physical chemistry, to energy storage, and heterogeneous catalysis. However, experimental determination of the structure of the electrode-electrolyte interface and electric double layer is challenging due to limited experimental approaches. In this work we show a detailed picture of the electrode-electrolyte interface relevant to Li-ion batteries. Specifically, we probe the atomic-scale interfacial structure of a non-aqueous liquid electrolyte solution of ethylene carbonate (EC) and dimethyl carbonate (DMC) containing lithium hexafluorophosphate (LiPF6) salt via surface sensitive Ångstrom resolution X-ray reflectivity (XRR). We complement our experimental results with molecular dynamics (MD) simulations, and find good agreement between the experiment and simulation derived density profiles. The surface at open circuit voltage (OCV) induces layering of electrolyte molecules near the interface, which decays towards the bulk, and we conclude that both EC and DMC molecules in the first interfacial layer tend to adsorb parallel to the surface. With increasing salt-concentration, the layering periodicity and the degree of order increase. We discuss implications of our results to Li-ion batteries, with focus on the relation between interfacial structure and ion transport in and out of the electrode. © The Royal Society of Chemistry 2018.
英文关键词	Catalysis; Electrodes; Ethylene; Ions; Lithium compounds; Lithium-ion batteries; Metals; Molecular dynamics; Molecules; Open circuit voltage; Electric double layer; Electrode-electrolyte interfaces; Experimental approaches; Experimental determination; Interfacial structures; Lithium hexafluorophosphate; Metal oxide interface; Molecular dynamics simulations; Electrolytes; catalysis; electrode; electrolyte; experimental study; nanoparticle; oxide
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/190310
作者单位	SSRL Materials Science Division, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, United States; Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, United States; Department of Chemistry, Stanford University, Stanford, CA 94305, United States; ESRF, 6 Rue Jules Horowitz B.P. 220, Grenoble Cedex, 38043, France; Electrochemistry Branch, Sensor and Electron Devices Directorate, U.S. Army Research Laboratory, Adelphi, MD 20783, United States
推荐引用方式 GB/T 7714	Steinrück H.-G.,Cao C.,Tsao Y.,et al. The nanoscale structure of the electrolyte-metal oxide interface[J],2018,11(3).
APA	Steinrück H.-G..,Cao C..,Tsao Y..,Takacs C.J..,Konovalov O..,...&Toney M.F..(2018).The nanoscale structure of the electrolyte-metal oxide interface.Energy & Environmental Science,11(3).
MLA	Steinrück H.-G.,et al."The nanoscale structure of the electrolyte-metal oxide interface".Energy & Environmental Science 11.3(2018).