Comparative Studies on VS₂ Bilayer and VS₂/Graphene Heterostructure as the Anodes of Li Ion Battery

Abstract:

Due to the development of various mobile electronic devices, such as electric vehicles, rechargeable ion batteries are becoming more and more important. However, the current commercial lithium-ion batteries have obvious defects, including poor safety from Li dendrite and flammable electrolyte, quick capacity loss and low charging and discharging rate. It is very important to find a better two-dimensional material as the anode of the battery to recover the disadvantages. In this paper, first principles calculations are used to explore the performances of VS₂ bilayer and VS₂ / graphene heterostructure as the anodes of Li ion batteries. Based on the calculation of the valences, binding energy, intercalation voltage, charge transfer and diffusion barrier of Li, it is found that the latter can be used as a better anode material from the perspective of insertion voltage and binding energy. At the same time, the former one is better in terms of diffusion barrier. Our study provides a comprehensive understanding on VS₂ based 2D anodes.

• Periodical: Key Engineering Materials (Volume 894)
• Pages: 61-66
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.894.61
• Online since: July 2021
• Authors: Rui Zhi Dong*
• Keywords: Binding Energy, Diffusion Barrier, Intercalation Voltage, VS₂ Bilayer, VS₂/Graphene Heterostructure

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