Investigation of electronic and structural properties of B۶C۶ boron- graphyne

In this study, the stability and electronic properties of B۶C۶boron-graphyne structure was analyzed.Thermal stability was assessed through AIMD (Ab initio molecular dynamics) at the specified temperature.Electronic properties were evaluated via band structure analysis

کلیدواژه ها:

Graphyne ، boron ، AIMD ، band structure