Table 1 Defect formation energies in HBS compared to the corresponding structures in graphene. The values for graphene are from Ref. 11, with the exception of the flower defect from Ref. 20. Schematic illustrations of the defect structures are given in the Supplemental Material
From: Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems
Defect formation energy (eV) | |||
|---|---|---|---|
Defect | Graphene | HBS (DFT) | HBS (CFF) |
Stone-Wales (55-77) | 4.5–5.3 | 2.8 | 4.2 |
Flower | 7.0 | 1.2 | 2.0 |
5-8-5 | 7.2–7.9 | 9.0 | 10.1 |
555-777 | 6.4–7.5 | 5.7 | 6.5 |
5555-6-7777 | 7 | 4.8 | 5.1 |
