Energetics of acetylene-addition mechanism of diamond growth

D. Huang; M. Frenklach; M. Maroncelli

doi:10.1021/j100333a039

Energetics of acetylene-addition mechanism of diamond growth

D. Huang, M. Frenklach, M. 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 language	English (US)
Pages (from-to)	6379-6381
Number of pages	3
Journal	Journal of physical chemistry
Volume	92
Issue number	22
DOIs	https://doi.org/10.1021/j100333a039
State	Published - 1988

All Science Journal Classification (ASJC) codes

General Engineering
Physical and Theoretical Chemistry

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10.1021/j100333a039

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title = "Energetics of acetylene-addition mechanism of diamond growth",

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.",

author = "D. Huang and M. Frenklach and M. Maroncelli",

year = "1988",

doi = "10.1021/j100333a039",

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pages = "6379--6381",

journal = "Journal of physical chemistry",

issn = "0022-3654",

publisher = "American Chemical Society",

number = "22",

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T1 - Energetics of acetylene-addition mechanism of diamond growth

AU - Huang, D.

AU - Frenklach, M.

AU - Maroncelli, M.

PY - 1988

Y1 - 1988

N2 - 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.

AB - 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.

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DO - 10.1021/j100333a039

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JO - Journal of physical chemistry

JF - Journal of physical chemistry

IS - 22

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Energetics of acetylene-addition mechanism of diamond growth

Abstract

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