A Step Back: Hydrogen Abstraction from Methane Using a Semiempiracal Molecular Orbital Method
Several studies have now been completed using semiempirical molecular orbital methods1 to learn about various aspects of diamond growth.2–4 Whole reaction mechanisms for diamond epitaxy have been proposed on the basis of these calculations with supporting evidence from experiment. Attempts have been made to understand the roles of hydrogen atoms, methyl groups, acetylene groups and charged species in diamond film growth from both hot filament and plasma sources. Based on previous testing of the semiempirical molecular orbital method used here1 and in the previous studies, it seemed safe to assume that reasonable answers would be forthcoming.
KeywordsPotential Energy Surface Diamond Film Hydrogen Abstraction Semiempirical Method Diamond Growth
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