• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
成果搜索

author:

He, Xiaojie (He, Xiaojie.) [1] | Wang, Ruichen (Wang, Ruichen.) [2] | Yin, Huimin (Yin, Huimin.) [3] | Zhang, Yongfan (Zhang, Yongfan.) [4] (Scholars:章永凡) | Chen, Wenkai (Chen, Wenkai.) [5] (Scholars:陈文凯) | Huang, Shuping (Huang, Shuping.) [6] (Scholars:黄淑萍)

Indexed by:

EI SCIE

Abstract:

Transition metal sulfide with high electrical conductivity and thermal stability has been considered as a promising anode candidate for rechargeable batteries. Among them, 1T-MoS2 nanosheet with a honeycomb structure like graphene, has attracted increasing attention recently due to its excellent electrochemical performance. In this paper, the density functional theory calculations have been employed to investigate and compare the interaction of Li, Na, K, Mg, and Al with the 1T-MoS2 monolayer, including the geometry configurations, electronic structures, ions diffusion properties, open-circuit voltages, and specific theoretical capacities. All metal atoms adsorbed on 1T-MoS2 monolayer with negative adsorption energies, indicating strong binding between metals and 1T-MoS2 monolayer and in favor of battery application. The diffusion barriers of all metal ions are less than 0.2 eV, indicating good charge-discharge rates. The OCV range of 1T-MoS2 as Li-ion, Na-ion and Mg-ion batteries anodes is around 0.2 similar to 0.8 V, and the specific capacities are 1172, 335, and 670 mAh/g, respectively. Our results indicate that the high capacity, low open-circuit voltage, and ultrahigh ion diffusion kinetics make the 1T-MoS2 an excellent candidate as anode material for Li-ion batteries, Na-ion batteries and Mg-ion batteries.

Keyword:

1T-MoS2 2D material Anode Density functional theory Rechargeable batteries

Community:

  • [ 1 ] [He, Xiaojie]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Wang, Ruichen]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Yin, Huimin]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Zhang, Yongfan]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 5 ] [Chen, Wenkai]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 6 ] [Huang, Shuping]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 7 ] [Huang, Shuping]Fujian Prov Key Lab Electrochem Energy Storage Ma, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • [Chen, Wenkai]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China;;[Huang, Shuping]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China;;[Huang, Shuping]Fujian Prov Key Lab Electrochem Energy Storage Ma, Fuzhou 350108, Fujian, Peoples R China;;

Show more details

Related Keywords:

Source :

APPLIED SURFACE SCIENCE

ISSN: 0169-4332

Year: 2022

Volume: 584

6 . 7

JCR@2022

6 . 3 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:91

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 111

SCOPUS Cited Count: 86

ESI Highly Cited Papers on the List: 3 Unfold All

  • 2023-9
  • 2023-5
  • 2023-3

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

Online/Total:202/9999369
Address:FZU Library(No.2 Xuyuan Road, Fuzhou, Fujian, PRC Post Code:350116) Contact Us:0591-22865326
Copyright:FZU Library Technical Support:Beijing Aegean Software Co., Ltd. 闽ICP备05005463号-1