Accelerated Workflow for Antiperovskite‐based Solid State Electrolytes

Invited for this month's cover picture is the group of Prof. Ivano E. Castelli. The cover picture shows a battery unfolding in its main components and the charge density, which is used to accelerate the estimation of the ionic mobility of the solid‐state electrolyte. Read the full text of the R...

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Bibliographic Details
Published in:Batteries & supercaps 2023-06, Vol.6 (6), p.n/a
Main Authors: Sjølin, Benjamin H., Jørgensen, Peter B., Fedrigucci, Andrea, Vegge, Tejs, Bhowmik, Arghya, Castelli, Ivano E.
Format: Article
Language:English
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Summary:Invited for this month's cover picture is the group of Prof. Ivano E. Castelli. The cover picture shows a battery unfolding in its main components and the charge density, which is used to accelerate the estimation of the ionic mobility of the solid‐state electrolyte. Read the full text of the Research Article at 10.1002/batt.202300041. “Inverted crystal materials are a new class of materials with exciting properties for the battery of the future. To accelerate their discovery, we implement a workflow, based on quantum mechanical calculations, and accelerated via surrogate models working on the calculated charge density. We then apply this approach to discover new antiperovskites for solid‐state electrolytes…” Learn more about the story behind the research featured on the front cover in this issue's Cover Profile. Read the corresponding Research Article on 10.1002/batt.202300041.
ISSN:2566-6223
2566-6223
DOI:10.1002/batt.202300204