• 文献标题:   Theoretical study of SnS2 encapsulated in graphene as a promising anode material for K-ion batteries
  • 文献类型:   Article
  • 作  者:   KANG XX, XU W, DUAN XM
  • 作者关键词:   g, sns2, g heterostructure, potassium ion batterie, first principles calculation
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1088/1361-648X/ac3db5
  • 出版年:   2022

▎ 摘  要

Rechargeable batteries with superior electronic conductivity, large capacity, low diffusion barriers and moderate open circuit voltage have attracted amount attention. Due to abundant resources and safety, as well as the high voltage and energy density, potassium ion batteries (KIBs) could be an ideal alternative to next-generation of rechargeable batteries. Based on the density functional theory calculations, we find that the SnS2 monolayer expands greatly during the potassiumization, which limits its practical application. The construction of graphene/SnS2/graphene (G/SnS2/G) heterojunction effectively prevents SnS2 sheet from deformation, and enhances the electronic conductivity. Moreover, the G/SnS2/G has not only a high theoretical special capacity of 680 mAh g(-1), but an ultra-low K diffusion barrier (0.08 eV) and an average open circuit voltage (0.22 V). Our results predict that the G/SnS2/G heterostructure could be used as a promising anode material for KIBs.