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Electronic-Structures Calculations of Calcium-Intercalated Bilayer Graphene: A First-Principle Study
Publikováno v:
Indonesian Journal of Chemistry, Vol 22, Iss 6, Pp 1605-1611 (2022)
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
Externí odkaz:
https://doaj.org/article/e0f93920411f41699bfa57eb15011f61