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author:

Wang, Lina (Wang, Lina.) [1] | Luo, Guangfu (Luo, Guangfu.) [2]

Indexed by:

EI Scopus SCIE

Abstract:

The electrode-electrolyte interfaces play pivotal roles in alkali-metal batteries, necessitating superior electrochemical stability, excellent electrical insulation, and high ionic conductivity. This study proposes using zeolites as interfacial protective layers owing to their inherently high stability with both alkali metals and high-voltage cathodes as well as exceptionally wide band gaps that minimize electron transport. To further pinpoint zeolites with rapid ionic diffusivity among their versatile structures, we devise a universal approach to explore diffusion dynamics in arbitrary structures. Through first-principles calculations, we identify the diffusion networks of Li+, Na+, and K+ in 22, 17, and 4 zeolites, respectively. Eventually, we predict 5, 7, and 3 zeolites as suitable interfacial protective layers for Li-, Na-, and K-metal batteries, respectively, each characterized by a diffusion barrier below 0.3 eV. This research automates the exploration of diffusion dynamics in complex materials and underscores the significant potential of zeolites as interfacial protective layers in alkali-metal batteries.

Keyword:

alkali-metal batteries diffusion dynamics first-principlescalculations interfacial protective layer zeolites

Community:

  • [ 1 ] [Wang, Lina]Fujian Sci & Technol Innovat Lab Optoelect Informa, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Wang, Lina]Fuzhou Univ, Fujian Key Lab Green Extract & High Value Utilizat, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Wang, Lina]Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China
  • [ 4 ] [Wang, Lina]Chinese Acad Sci, Fujian Inst Res Struct Matter, Fujian Prov Key Lab Mat & Tech Hydrogen Energy, Fuzhou 350002, Fujian, Peoples R China
  • [ 5 ] [Luo, Guangfu]Southern Univ Sci & Technol, Dept Mat Sci & Engn, Shenzhen 518055, Peoples R China
  • [ 6 ] [Luo, Guangfu]Southern Univ Sci & Technol, Inst Innovat Mat, Shenzhen 518055, Peoples R China

Reprint 's Address:

  • [Luo, Guangfu]Southern Univ Sci & Technol, Dept Mat Sci & Engn, Shenzhen 518055, Peoples R China;;[Luo, Guangfu]Southern Univ Sci & Technol, Inst Innovat Mat, Shenzhen 518055, Peoples R China

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Source :

ACS APPLIED MATERIALS & INTERFACES

ISSN: 1944-8244

Year: 2025

Issue: 9

Volume: 17

Page: 13960-13969

8 . 5 0 0

JCR@2023

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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