Electronic-Structures Calculations of Calcium-Intercalated Bilayer Graphene: A First-Principle Study

Electronic-Structures Calculations of Calcium-Intercalated Bilayer Graphene: A First-Principle Study

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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...

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Bibliographic Details
Main Authors: Sri Hidayati, Iman Santoso, Sefty Yunitasari, Sholihun Sholihun
Format: Article
Language:English
Published: Department of Chemistry, Universitas Gadjah Mada 2022-10-01
Series:Indonesian Journal of Chemistry
Subjects:
ca-intercalated bilayer graphene
formation energy
electronic structure
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/75647

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