Table 2 Absorption energy estimated on various substrates.
From: Carbon clusters on substrate surface for graphene growth- theoretical and experimental approach
Substrate | Position | Total energy | Absorption energy | Remarks | |||
|---|---|---|---|---|---|---|---|
Substrate | Nano graphene | Supercell | Nano graphene | 6-ring | |||
SrTiO\(_{3}\)(001) | Sr atom | − 7321022.51 | − 2397450.62 | − 9719043.04 | 569.92 | Bent | Slightly rotated |
Ti atom | − 9719042.77 | 569.65 | Bent |  | |||
O atom | − 9719042.49 | 569.36 | Bent |  | |||
Al\(_{2}\)O3(001) | Al atom | − 89556972.78 | − 91955383.64 | 949.56 |  |  | |
O atom | − 91955383.64 | 960.25 |  | Vertical standup | |||
MgO(001) | Mg atom | − 23131793.52 | − 25530067.18 | 823.03 | Slightly bent | Vertical standup | |
O atom | − 25530069.13 | 824.99 | Slightly bent | Lean on O atom | |||
Si(001) | Si atom | − 14880041.41 | − 148278044.88 | 552.85. | Hemisphere | Vertical standup | |
Interatomic | − 148278429.79 | 937.75 | Hemisphere | Bent | |||
Si(111) | Si atom | − 18234692.32 | − 18833907.40 | 496.58 | Distortion | Vertical standup | |
Interatomic | − 18834031.90 | 621.08 | Distortion | Bent | |||
