COMPUTER SIMULATION OF RADIATION DEFECTS IN CARBON NANOSTRUCTURE OF GRAPHEN

Authors

  • A.M. Ilyin Al-Farabi Kazakh National University, Kazakstan, Almaty
  • R.R. Nemkaeva Al-Farabi Kazakh National University, Kazakstan, Almaty
  • M.U. Ospanova Al-Farabi Kazakh National University, Kazakstan, Almaty
  • M.I. Kim Al-Farabi Kazakh National University, Kazakstan, Almaty
  • O.G. Dokuchaeva Al-Farabi Kazakh National University, Kazakstan, Almaty

Abstract

This work contains results of computer experiments by simulation and investigation of radiation defects in carbon nanostructure of graphen. The calculations of structure relaxation in vacancy zone were carried out by quantum-chemical methods; the relaxation’s influences on defect’s energetic were estimated. Stable configuration of three- dimensional defect arising during adsorption of knocked atom by graphite plane was found. Bond energy of this defect was defined.

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Published

2008-11-04

Issue

Vol. 2008 No. 3 (2008): KazNU Bulletin. Physics series

Section

Condensed Matter Physics and Materials Science Problems. NanoScience

How to Cite

COMPUTER SIMULATION OF RADIATION DEFECTS IN CARBON NANOSTRUCTURE OF GRAPHEN. (2008). Recent Contributions to Physics, 2008(3), 111-115. https://bph.kaznu.kz/index.php/zhuzhu/article/view/1497

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