A Review on the Molecular Modeling of Argyrodite Electrolytes for All-Solid-State Lithium Batteries

Oluwasegun M. Ayoola, Alper Buldum (), Siamak Farhad () and Sammy A. Ojo
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Oluwasegun M. Ayoola: Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA
Alper Buldum: Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA
Siamak Farhad: Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA
Sammy A. Ojo: Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA

Energies, 2022, vol. 15, issue 19, 1-21

Abstract: Solid-state argyrodite electrolytes are promising candidate materials to produce safe all-solid-state lithium batteries (ASSLBs) due to their high ionic conductivity. These batteries can be used to power electric vehicles and portable consumer electronics which need high power density. Atomic-scale modeling with ab initio calculations became an invaluable tool to better understand the intrinsic properties and stability of these materials. It is also used to create new structures to tailor their properties. This review article presents some of the recent theoretical investigations based on atomic-scale modeling to study argyrodite electrolytes for ASSLBs. A comparison of the effectiveness of argyrodite materials used for ASSLBs and the underlying advantages and disadvantages of the argyrodite materials are also presented in this article.

Keywords: argyrodite electrolyte; all-solid-state lithium batteries; modeling; molecular dynamics; simulation (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2022
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (2)

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