10-14 July 2016
Africa/Johannesburg timezone
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Deposition of C, C<sub>2</sub>, CH, CH<sub>2</sub> and CH<sub>3</sub> onto graphene: structures and structural changes of graphene

11 Jul 2016, 16:30
Spartan 1

Spartan 1

Board: 049
Poster Presentation Poster Session


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).

Primary author

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


Dr Abdiravuf Dzhurakhalov (Department of Mathematics and Computer Science, University of Antwerp) Dr Ishmumin Yadgarov (Institute of Ion-Plasma and Laser Technologies)

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