CCP2016

Deposition of C, C₂, CH, CH₂ and CH₃ onto graphene: structures and structural changes of graphene

11 Jul 2016, 16:30

1h

Spartan 1

Board: 049

Poster Presentation Poster Session

Speaker

Mr Vasiliy Stelmakh (Institute of Ion-Plasma and Laser Technologies)

Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

Using energy minimization method the more stable structures of C₂, CH, CH₂ and CH₃ molecules and of defect-free graphene were found. For description of the interatomic potential we used Brenner interatomic potential [1], which is specifically parameterized for the carbon and hydrogencarbon systems. Then by the molecular dynamics method and using the same Brenner potential, computer modeling of deposition of C, C₂, CH, CH₂ and CH₃ particles onto defect-free graphene was carried out.
The results of computer simulations, the structures and the various structural changes of graphene caused by the deposition of carbon atoms and C₂, CH, CH₂ and CH₃ molecules are presented and discussed.

1. D.W. Brenner, O.A. Shenderova, J.A. Harrison, S.J. Stuart, B. Ni, S.B. Sinnot, J. Phys: Condens. Matter 14, 783 (2002).