Universal ion-transport descriptors and classes of inorganic solid-state electrolytes

Author:

López Cibrán123,Emperador Agustí1,Saucedo Edgardo24,Rurali Riccardo3,Cazorla Claudio12ORCID

Affiliation:

1. Departament de Física, Universitat Politècnica de Catalunya, 08034 Barcelona, Spain

2. Barcelona Research Center in Multiscale Science and Egineering, Universitat Politècnica de Catalunya, 08019 Barcelona, Spain

3. Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus UAB, 08193 Bellaterra, Spain

4. Department of Electronic Engineering, Universitat Politècnica de Catalunya, 08034 Barcelona, Spain

Abstract

A comprehensive first-principles database is introduced for prototypical families of inorganic solid-state electrolytes containing sets of zero-temperature DFT and finite-temperature ab initio molecular dynamic results.

Funder

Ministerio de Ciencia e Innovación

Generalitat de Catalunya

Publisher

Royal Society of Chemistry (RSC)

Subject

Electrical and Electronic Engineering,Process Chemistry and Technology,Mechanics of Materials,General Materials Science

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