Computer simulation and study of radiation defects in graphene

✍ Scribed by A.M. Ilyin; E.A. Daineko; G.W. Beall

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 224 KB
• Volume: 42
• Category: Article
• ISSN: 1386-9477
• DOI: 10.1016/j.physe.2009.08.021

✦ Synopsis

Computer simulation has been used to study the properties of radiation defects in a graphene sheet. Several possible stable configurations of 3D radiation defects in graphene have been simulated. Several types of absorbed species were calculated involving a single carbon atom and a dumbbell absorbed at graphene sheet surface and a dumbbell configuration at a vacancy created by radiation knocking out a carbon atom. The calculations also included the effect of structural relaxation. The defect caused by the atom being displaced from the structure converted the sheet from metallic to semiconducting.