Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory
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Pristine graphene and graphene derivatives have been investigated with the density functional theory (DFT). The calculations consist of structural optimization, density of states (DOS), projected density of states (PDOS) based on orthorhombic 4-atom unit cell.
Nội dung trích xuất từ tài liệu:
Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory
Nội dung trích xuất từ tài liệu:
Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory
Tìm kiếm theo từ khóa liên quan:
Graphene derivatives Hexagonal unit cell Orthorhombic unit Density functional theory Pristine grapheneTài liệu liên quan:
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