Planar Clusters of Identical Atoms in Equilibrium: 1. Diatomic Model Approach
American Journal of Nano Research and Applications
Volume 5, Issue 3-1, May 2017, Pages: 1-4
Received: Jul. 21, 2016;
Accepted: Jul. 25, 2016;
Published: Sep. 14, 2016
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Levan Chkhartishvili, Department of Engineering Physics, Georgian Technical University, Tbilisi, Georgia; Laboratory for Boron-Containing and Composite Materials, F. Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia
Diatomic model, when is utilized to describe clusters of identical atoms, takes into account bonding only between neighboring pairs of atoms. According to the diatomic model, isomers of wrapped forms, e.g. built from nanotubular and/or fullerene-like structural fragments, have to be more stable energetically than their planar counterparts because planar clusters contain more peripheral atoms with dangling bonds and, correspondingly, lesser atoms with saturated bonds. At the same time, mentioned difference in coordination numbers between central and peripheral atoms leads to the bonds polarity in planar clusters. Introducing corrections related to the electrostatic forcesreveals that small planar clusters can be more stable than their wrapped isomers. It is the Paper 1 of two, which provides a general theoretical frame for studying the planar clusters of identical atoms. The Paper 2 will be devoted to the numerical realization for all-boron planar clusters.
Planar Clusters of Identical Atoms in Equilibrium: 1. Diatomic Model Approach, American Journal of Nano Research and Applications. Special Issue: Nanotechnologies.
Vol. 5, No. 3-1,
2017, pp. 1-4.
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