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- W2891639453 endingPage "2046" @default.
- W2891639453 startingPage "2016" @default.
- W2891639453 abstract "The all-solid-state lithium-ion battery is a promising next-generation battery technology. However, the realization of all-solid-state batteries is impeded by limited understanding of solid electrolyte materials and solid electrolyte-electrode interfaces. In this review, we present an overview of recently developed computation techniques and their applications in understanding and advancing materials and interfaces in all-solid-state batteries. We review the role of ab initio molecular dynamics simulations in studying fast ion conductors and discuss the capabilities of thermodynamic calculations powered by materials databases for identifying the chemical and electrochemical stability of solid electrolyte materials and solid electrolyte-electrode interfaces. We highlight the computational studies in the design and discovery of new solid electrolyte materials and outline design guidelines for solid electrolytes and their interfaces. We conclude with discussion of future directions in computation techniques, materials development, and interface engineering for all-solid-state lithium-ion batteries." @default.
- W2891639453 created "2018-09-27" @default.
- W2891639453 creator A5043347975 @default.
- W2891639453 creator A5046377236 @default.
- W2891639453 creator A5060461969 @default.
- W2891639453 creator A5078044692 @default.
- W2891639453 creator A5082989034 @default.
- W2891639453 date "2018-10-01" @default.
- W2891639453 modified "2023-10-16" @default.
- W2891639453 title "Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries" @default.
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