Abstract
Chemical reactions between gases (H, CH, CH2, CH3, C, C2, and C2H2) and the hydrogenated (111) surface of diamond clusters during diamond growth are investigated using the semiempirical molecular orbital method of AM1 approximation. The heat of formation (HOF) at the first stage of growth has been calculated as a function of the charge given to clusters. The chemical interaction energies and heat of reaction have been calculated from HOF. The chemisorption of CH and CH2 on the substrate has been suggested to be the most important process in the diamond nucleation. The results have suggested that homogeneous nucleation on the diamond (111) surface proceeds easily by one of two processes, either under the influence of a pulsed negative charge (-1) or an alternating charge (-1 and +1) bias to the substrate.
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