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author:

Wu, Jianze (Wu, Jianze.) [1] | Yin, Junjun (Yin, Junjun.) [2] | Huang, Shuping (Huang, Shuping.) [3] (Scholars:黄淑萍)

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EI

Abstract:

Our density functional theory calculations reveal that CrX3 (X = Cl, Br, I) is ferromagnetic, exhibiting remarkable stability, electrical conductivity, and mechanical properties. Notably, CrX3 monolayer exhibit low diffusion barriers when employed as anode materials for lithium, sodium, and potassium ion batteries. Specifically, the diffusion barriers in CrX3 monolayer range from 0.145 to 0.216 eV for lithium-ion, 0.185–0.199 eV for Na-ion, and 0.067 eV for K-ion. Furthermore, CrCl₃ as an anode material for sodium-ion batteries, has a theoretical specific capacity of up to 1420 mAh/g, significantly exceeding that of hard carbon materials widely used in sodium-ion batteries, which usually have a specific capacity of only between 300 and 400 mAh/g. These findings suggest that CrX3 monolayer hold significant potential as ideal replacements for metal-ion battery anodes. © 2024 Elsevier Ltd

Keyword:

Alkali metals Anodes Binary alloys Monolayers Sodium-ion batteries

Community:

  • [ 1 ] [Wu, Jianze]College of Chemistry, Fuzhou University, Fujian, Fuzhou; 350108, China
  • [ 2 ] [Yin, Junjun]College of Chemistry, Fuzhou University, Fujian, Fuzhou; 350108, China
  • [ 3 ] [Huang, Shuping]College of Chemistry, Fuzhou University, Fujian, Fuzhou; 350108, China
  • [ 4 ] [Huang, Shuping]Fujian Provincial Key Laboratory of Electrochemical Energy Storage Materials, Fuzhou University, Fujian, Fuzhou; 350108, China

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Source :

Journal of Energy Storage

Year: 2024

Volume: 101

8 . 9 0 0

JCR@2023

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ESI Highly Cited Papers on the List: 0 Unfold All

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30 Days PV: 2

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