Details

Autor(en) / Beteiligte

• Kasper, Y
• Tuchin, A
• Bokova, A
• Bityutskaya, L

Titel

Numerical simulation of multi-layer graphene structures based on quantum-chemical model

Ist Teil von

• Journal of physics. Conference series, 2016-08, Vol.741 (1), p.12022

Ort / Verlag

Bristol: IOP Publishing

Erscheinungsjahr

2016

Link zum Volltext

Quelle

Free E-Journal (出版社公開部分のみ）

Beschreibungen/Notizen

• The electronic structure of the multi-layer graphene has been studied using the density functional theory (DFT). The dependence of the average interlayer distance on the number of layers (n = 2 ÷ 6) has been determined. The analysis of the charge redistribution and the electron density of the bi- and three-layer graphene under the external pressure up to 50 GPa has been performed. The model of the interlayer conductivity of compressed multigraphene was offered