Exploring the performance of g-C۳N۴ and some of its derivatives as electrode materials in sodium-ion batteries using DFT methods

Na ion batteries, as a suitable option next to lithium batteries and also as a substitute for them, have been the focus of many researchers in recent years. Finding suitable electrode materials especially anode electrode materials due to the lack of variety of available materials, is an important facet in the research of this category of batteries. In this study the efficiency of g-C۳N۴ and some of its derivatives such as P-g-C۳N۴, and B-g-C۳N۴, are investigated as electrode material for sodium-ion batteries, SIBs, using computational methods. According to the results, the P-g-C۳N۴ with a suitable voltage range and relatively low diffusion barrier is a more promising choice for anode electrode usage in SIBs

کلیدواژه ها:

Graphitic carbon nitride ، Sodium-ion battery ، Lithium-ion battery ، diffusion barrier ، P-g-C۳N۴