Citation: Shouzheng Wang, Chunmei Tang, Yu Huang, Jiangfeng Gong. Remarkable-cycle-performance β-bismuthene/graphene heterostructure anode for Li-ion battery[J]. Chinese Chemical Letters, ;2022, 33(8): 3802-3808. doi: 10.1016/j.cclet.2021.11.037 shu

Remarkable-cycle-performance β-bismuthene/graphene heterostructure anode for Li-ion battery

College of Science, Hohai University, Nanjing 210098, China

tcmnj@163.com

Received Date: 14 September 2021
Revised Date: 1 November 2021
Accepted Date: 13 November 2021
Available Online: 18 November 2021

Figures(4)

Remarkable Li-ion battery (LIB) anode materials need to have long cycle life and fast charge/discharge rate, however they are difficult to be realized in the monolayer anode materials. The monolayer β-Bi has the stiffness of only 33.0 N/m, thus the Bi/G heterostructure is proposed to improve the electronic and mechanical properties and to produce better LIB anode performance in this paper. The calculated results show that Bi/G heterostructure has excellent thermodynamic, dynamical and mechanical stability. The band gap is only 0.04 eV, which ensures remarkable electrical conductivity. In addition, the Bi/G heterostructure has higher stiffness (369.2 N/m) than that of monolayer β-Bi and graphene. The diffusion barrier (E_barrier) of 0.32 eV and volume expansion ratio (VER) of only 4% can ensure the rapid transport of Li⁺ ions in the charge/discharge cycling process and long life of the LIB. These calculated theoretical results for describing the detail properties of Li storage and diffusion in the Bi/G heterostructure can supply adequate conclusive evidence for the prediction of remarkable properties of Bi/G heterostructure as an anode material for LIBs.
- Anode material,
- Li-ion battery,
- Bismuthene,
- Graphene,
- Heterostructure,
- First-principles calculation
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