Electronic-Structures Calculations of Calcium-Intercalated Bilayer Graphene: A First-Principle Study
In this study, electronic structure calculations of Ca-intercalated bilayer graphene are conducted using the density functional theory (DFT). We modeled two configurations by positioning calcium in the middle of the bilayer (M-site) and on top of the bilayer surface (T-site). Our results show that t...
Main Authors: | , , , |
---|---|
格式: | 文件 |
语言: | English |
出版: |
Chemistry Department, Universitas Gadjah Mada, Indonesia
2022
|
主题: | |
在线阅读: | https://repository.ugm.ac.id/278885/1/Hidayati_MIPA.pdf |