Density functional theory calculations on graphene/α-SiO2(0001) interface
نویسندگان
چکیده
منابع مشابه
Density functional theory calculations on graphene/α-SiO2(0001) interface
In this work, the graphene/α-SiO2(0001) interface is calculated using density functional theory. On the oxygen-terminated SiO2 surface, atomic structure reconstruction occurs at the graphene/SiO2 interface to eliminate the dangling bonds. The interface interaction is 77 meV/C atom, which indicates that van der Waals force dominates the interaction, but it is stronger than the force between the ...
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ژورنال
عنوان ژورنال: Nanoscale Research Letters
سال: 2012
ISSN: 1556-276X
DOI: 10.1186/1556-276x-7-158