科研之友
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摘要
Molecular dynamics simulations have been performed to investigate the reaction behaviour of species that may affect the growth of ultrananocrystalline and nanocrystalline diamond films. We calculated the sticking coefficients of CH x (x = 0-4), C(2)H(x) (x = 0-6), C(3)H(x) (x = 0-2) and C(4)H(x) (x = 0-2) on diamond (100) 2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures. It is found that the numbers of free electrons and hydrogen atoms of the species determine their sticking efficiency. The different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) to (111) growth.
