Kernel-forming Mechanisms for Growth of Diamond(111) Surface from Acetylene

Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (5): 789.

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Kernel-forming Mechanisms for Growth of Diamond(111) Surface from Acetylene

DAI Zhen-Wen¹, LIU Bo², LIU Jing-Yao², PAN Shou-Fu¹

1. Institute of Atomic and Molecular Physics, Department of Physics, Jilin University, Changchun, 130023;
2. Institute of Theoretical Chemistry, Jilin University, Changchun, 130023

Received:1997-03-06 Online:1998-05-24 Published:1998-05-24

Abstract

Abstract: The AM1 semi-empirical quantum mechanical method has been used to calculate the mechanisms for adsorbing and kernel-forming on diamond(111) hydrogenated surface by using acetylene as growth species. The heats of formation(ΔH_f) of each step in kernel-forming reaction pathway are obtained. The results show that acetylene can greatly contribute to the kernel-forming of diamond and that acetylene is the primary one of diamond growth species.

Key words: Diamond thin film, Acetylene, Kernel-forming mechanism, Potential barrier(Ed.: Q, X)

CLC Number:

O561.2

TrendMD:

DAI Zhen-Wen, LIU Bo, LIU Jing-Yao, PAN Shou-Fu . Kernel-forming Mechanisms for Growth of Diamond(111) Surface from Acetylene[J]. Chem. J. Chinese Universities, 1998, 19(5): 789.

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Kernel-forming Mechanisms for Growth of Diamond(111) Surface from Acetylene

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