| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1545107 | Physica E: Low-dimensional Systems and Nanostructures | 2013 | 7 Pages |
Abstract
⺠The study of graphene islands, culminated in the fact that relative stability and the gap decreases according to the size increase. ⺠Mulliken charge variation increases with the size. ⺠Vacancy generally reduces the stability and having vacancy affects the stability differently according to the location of vacancies. ⺠The carbon-carbon length changes according to each covalence band distance from the boundary and vacancies. ⺠Two basis sets, 6-31gâ and 6-31g**, predict equal amount for energy, gap and surface structure.
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Authors
N. Kheirabadi, A. Shafiekhani,