(VASP). Preliminary calculations showed that DFT-D3 method with Becke-Jonson damping
present good agreement of lattice constant with experiment data. Ground state of graphene
position on the SiO2 surfaces obtained has been determined. Interlayer distances between
graphene and different types of quartz substrate have been calculated; the interlayer
distances being 3.31 Å and 4.32 Å for models with open oxygen dangling bonds and with …