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Citation:
Dai Zhen-Wen, Liu Bo, Pan Shou-Fu. Growth Mechanisms of Diamond(111) Surface from Acetylene[J]. Acta Physico-Chimica Sinica,
;1997, 13(10): 904-907.
doi:
10.3866/PKU.WHXB19971008
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The AM1 semi-empirical quantum mechanical method has been used to calculate the mechanisms for growth of diamond (111) hydrogenated surface by using acetylene molecule as growth species. The enthalpy of formation (ΔfH) of each step in the growth reaction pathway are obtained. The results show that acetylene can greatly contribute to the growth of diamond and that acetylene is an effective diamond growth species.
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Keywords:
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Diamond thin film
, - Acetylene,
- Growth emchanism,
- Potential barrier
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