Computer simulation of the interaction of ringlike carbon clusters with nanographene
A.A. DzhurakhalovDepartment of Mathematics and Computer Science, University of Antwerp, BelgiumV. G. Stel’makhInstitute of Ion-Plasma and Laser Technologies, Tashkent, UzbekistanI.D. YadgarovInstitute of Ion-Plasma and Laser Technologies, Tashkent, Uzbekistan
ABI
Annotatsiya
Various cases of interaction of ringlike carbon clusters C7, C12 and C13 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.
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