A computational study of the negative LiIn modified anode and its interaction with β-Li<sub>3</sub>PS<sub>4</sub> solid–electrolyte for battery applications-Reference-Cited by-同舟云学术

A computational study of the negative LiIn modified anode and its interaction with β-Li₃PS₄ solid–electrolyte for battery applications

Published:2024 Issue:21 Volume:26 Page:15648-15656
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Marana Naiara Leticia¹^ORCID,Silveri Fabrizio¹²,de Oliveira Gomes Eduardo³,Donà Lorenzo¹^ORCID,D'Amore Maddalena¹^ORCID,Ascrizzi Eleonora¹^ORCID,Sgroi Mauro Francesco¹,Maschio Lorenzo¹^ORCID,Ferrari Anna Maria¹^ORCID

Affiliation:

1. Chemistry Department, University of Torino, via P.Giuria 5, 10125 Torino, Italy

2. Gemmate Technologies s.r.l., Buttigliera Alta, Torino 10090, Italy

3. Department of Analytical and Physical Chemistry, Universitat Jaume I, 12071 Castelló, Spain

Abstract

DFT was applied to study the LiIn surfaces' formation and structural stability in interfaces with β-Li3PS4. The stable interfaces established with the β-Li3PS4 featured favorable adhesion energy, low strain energy, and little reconstruction.

Funder

Ministero dell'Università e della Ricerca

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00102H

Reference35 articles.

1. High‐Energy Lithium‐Ion Batteries: Recent Progress and a Promising Future in Applications

2. Development of All-Solid-State Li-Ion Batteries: From Key Technical Areas to Commercial Use

3. Recent advances in the interface engineering of solid-state Li-ion batteries with artificial buffer layers: challenges, materials, construction, and characterization

4. A Review of Solid Electrolyte Interphases on Lithium Metal Anode

5. Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals