Energy characteristics of carbon clusters with passivated bonds

V. V. Rotkin, R. A. Suris

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

A modified phenomenological model is proposed for calculating the formation energy of carbon nanoclusters which makes it possible to analyze the regions of existence of clusters of various forms. A new parameter of the model, which corresponds to passivation of broken carbon bonds, affects the shape of the equilibrium optimum clusters, i.e., those having a minimum energy for a fixed number of atoms. Analytic dependences of equilibrium-configuration states determining the existence of spheroidal closed clusters, nanopipes, and fragments of a graphite plane, on the broken-bond energy parameter obtained in this model are presented.

Original languageEnglish (US)
Pages (from-to)729-732
Number of pages4
JournalPhysics of the Solid State
Volume41
Issue number5
DOIs
StatePublished - May 1999

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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