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: | , , , |
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Format: | Article |
Language: | English |
Published: |
Department of Chemistry, Universitas Gadjah Mada
2022-10-01
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Series: | Indonesian Journal of Chemistry |
Subjects: | |
Online Access: | https://jurnal.ugm.ac.id/ijc/article/view/75647 |