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A theoretical approach to address interfacial problems in all-solid-state lithium ion batteries: tuning materials chemistry for electrolyte and buffer coatings based on Li6PA5Cl hali-chalcogenide

Abstract

Even though ultra-fast Li+ ion conductors based on sulfides such as LGPS and Li6PS5Cl have been developed in recent years, rather limited advancement has been made towards delivering all-solid-state lithium ion batteries due to serious interface-related problems. Here in this work, we have carried out extensive fundamental modelling to formulate a system of materials based on hali-chalcogenide Li6PA5Cl argyrodites (A is site for chalcogen species), so that materials with chemically and structurally compatible characteristics can be used as both superb electrolyte and excellent buffer coatings over electrode surfaces. All solid-state-batteries (ASSB) in the form of Li| Li6PO4SCl|Li6PO5Cl|Li0.25MnO2 is thus recommended, so that buffer coatings based on O-rich hali-chalcogenides help avoid interfacial reactions, owing to their high stability with respect to the cathodes and greatly enhanced chemical potential with respect to Li/Li+. Such batteries are fundamentally of high mechanical and electrochemical stability, thus enabling high performance and great endurance to operational voltage.

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Publication details

The article was received on 20 Nov 2018, accepted on 05 Jan 2019 and first published on 10 Jan 2019


Article type: Paper
DOI: 10.1039/C8TA11151K
Citation: J. Mater. Chem. A, 2019, Accepted Manuscript
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    A theoretical approach to address interfacial problems in all-solid-state lithium ion batteries: tuning materials chemistry for electrolyte and buffer coatings based on Li6PA5Cl hali-chalcogenide

    H. Xu, Y. Yu, Z. Wang and G. Shao, J. Mater. Chem. A, 2019, Accepted Manuscript , DOI: 10.1039/C8TA11151K

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