Energetics of acetylene-addition mechanism of diamond growth

D. Huang, M. Frenklach, Mark Maroncelli

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Abstract

A semiempirical quantum mechanical (MNDO) method was applied to investigate the energetics of a recently proposed elementary-reaction mechanism of epitaxial diamond growth at low pressures. The mechanism consists of surface activation by H atom abstraction of a hydrogen atom from a surface carbon followed by the addition of acetylene molecules. The computed potential surface indicated that the propagation steps, those of acetylene addition, proceed without any energy barriers.

Original languageEnglish (US)
Pages (from-to)6379-6381
Number of pages3
JournalJournal of Physical Chemistry
Volume92
Issue number22
DOIs
Publication statusPublished - Jan 1 1988

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All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physical and Theoretical Chemistry

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