Pervoprintsipnye issledovaniya adsorbtsii Li i Na na poverkhnosti monosloya MgCl2-Reference-Cited by-同舟云学术

Pervoprintsipnye issledovaniya adsorbtsii Li i Na na poverkhnosti monosloya MgCl2

Published:2023-12-15 Issue:9-10 (11) Volume:118 Page:683-688
ISSN:0370-274X
Container-title:Письма в Журнал экспериментальной и теоретической физики
language:
Short-container-title:Pisʹma v žurnal êksperimentalʹnoj i teoretičeskoj fiziki

Author:

Ustyuzhanina S. V.¹,Kistanov A. A.¹²

Affiliation:

1. Institute of Metals Superplasticity Problems, Russian Academy of Science

2. Laboratory of Metals and Alloys Under Extreme Impacts, Ufa University of Science and Technology

Abstract

Ab initio calculations have been performed to study the dynamic stability of a new MgCl2 monolayer and the formation of point defects in it. The possibility of using the MgCl2 monolayer in Li- and Na-ion batteries has been analyzed. It has been shown that the MgCl2 monolayer has the dynamic stability but can contain point defects. These point defects can improve the adsorption capability of the MgCl2 monolayer with respect to Li and Na atoms. The results obtained in this work indicate that the MgCl2 monolayer is a promising material for application in Li- and Na-ion batteries.

Publisher

The Russian Academy of Sciences

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