Ab initio study of nucleation on the diamond (1 0 0) surface during chemical vapor deposition with methyl and H radicals

Hiroyuki Tamura, Mark S. Gordon

    研究成果: Article査読

    17 被引用数 (Scopus)

    抄録

    Ab initio calculations have been performed to investigate the initial stage of the CVD growth of the diamond (1 0 0) surface with CH3 and H radicals. The reaction and the activation energies were calculated for nucleation on a flat terrace, the so-called dimer mechanism. CH2 insertion is found to be the rate-determining step of the dimer mechanism. CVD growth via the dimer mechanism is thermodynamically favorable, however, it is expected to be slow due to the high activation barrier.

    本文言語English
    ページ(範囲)197-201
    ページ数5
    ジャーナルChemical Physics Letters
    406
    1-3
    DOI
    出版ステータスPublished - 2005 4 23

    ASJC Scopus subject areas

    • 物理学および天文学(全般)
    • 物理化学および理論化学

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