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paper

Thermal formation of carbynes

arXiv:1403.7328 · doi:10.1088/0953-8984/26/21/215302

Abstract

We simulate the formation of $sp$ carbon chains (carbynes) by thermal decomposition of $sp^2$ carbon heated by a hot discharge plasma, by means of tight-binding molecular dynamics. We obtain and analyze the total quantity of carbynes and their length distribution as a function of temperature and density.