Computer simulation of the interaction of ringlike carbon clusters with nanographene

被引：2

作者：

Dzhurakhalov, A. A. ^{[1
]}

Stelmakh, V. G. ^{[2
]}

Yadgarov, I. D. ^{[2
]}

机构：

[1] Univ Antwerp, Dept Math & Comp Sci, Antwerp, Belgium

[2] Inst Ion Plasma & Laser Technol, Tashkent, Uzbekistan

来源：

XXVI IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (CCP2014) | 2015年 / 640卷

关键词：

MOLECULAR-DYNAMICS; FIELD;

D O I：

10.1088/1742-6596/640/1/012023

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Various cases of interaction of ringlike carbon clusters C-7, C-12 and C-13 with a rectangular nanographene consisting of 272 atoms were studied and presented. It was found that this interaction results in the structural change in these clusters and in the local part of nanographene. The cohesive energies of these clusters in the isolated (free) state and their binding energies with nanographene have been calculated. The results show that despite this interaction the atoms of cluster are hold together as a single cluster thanks to the significantly higher cohesive energy of cluster the its binding energy with nanographene.

引用

页数：6

共 8 条

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