1. Collision Energy Dependence of Defect Formation in Graphene
- Author
-
Chao Zhang, Fei Mao, Feng-Shou Zhang, and Yan-Wen Zhang
- Subjects
Physics ,Graphene ,General Physics and Astronomy ,chemistry.chemical_element ,Collision ,Threshold energy ,Displacement (vector) ,law.invention ,Molecular dynamics ,chemistry ,Computer Science::Systems and Control ,law ,Vacancy defect ,Physics::Atomic and Molecular Clusters ,Collision cascade ,Atomic physics ,Carbon - Abstract
Molecular dynamics simulations are performed using an empirical potential to simulate the collision process of an energetic carbon atom hitting a graphene sheet. According to the different impact locations within the graphene sheet, the incident threshold energies of different defects caused by the collision are determined to be 22 eV for a single vacancy, 36 eV for a divacancy, 60 eV for a Stone-Wales defect, and 65 eV for a hexavacancy. Study of the evolution and stability of the defects formed by these collisions suggests that the single vacancy reconstructs into a pentagon pair and the divacancy transforms into a pentagon-octagon-pentagon configuration. The displacement threshold energy in graphene is investigated by using the dynamical method, and a reasonable value 22.42 eV is clarified by eliminating the heating effect induced by the collision.
- Published
- 2012
- Full Text
- View/download PDF