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author:

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

Indexed by:

EI Scopus SCIE

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.

Keyword:

Anode materials Density functional theory Metal-ion batteries Two dimensional materials

Community:

  • [ 1 ] [Wu, Jianze]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Yin, Junjun]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Huang, Shuping]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Huang, Shuping]Fuzhou Univ, Fujian Prov Key Lab Electrochem Energy Storage Mat, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • [Huang, Shuping]Fuzhou Univ, Fujian Prov Key Lab Electrochem Energy Storage Mat, Fuzhou 350108, Fujian, Peoples R China;;

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Source :

JOURNAL OF ENERGY STORAGE

ISSN: 2352-152X

Year: 2024

Volume: 101

8 . 9 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: 5

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