Bond passivation model: Diagram of carbon nanoparticle stability

Slava V. Rotkin, Robert A. Suris

Research output: Contribution to journalArticle

10 Scopus citations

Abstract

A new heuristic model for the calculation of the formation energy of the carbon nanoclusters was proposed. The model uses only three parameters: two energies, Ec and ℰ5, are determined from the comparison with the experimental data, the results of computer simulations for various carbon nanoclusters, and the last one is the dangling carbon bond energy, Eb. The knowledge of the energies of the formation of the carbon cluster series, obtained in the frame of the unified phenomenological approach, allows one to judge the relative energetic stability of these clusters. The dangling bond passivation is shown to change drastically the phase diagram of the co-existence of the clusters of the different type.

Original languageEnglish (US)
Pages (from-to)98-101
Number of pages4
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Volume261
Issue number1-2
DOIs
StatePublished - Oct 4 1999

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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