The Interaction Between Clean/Hydrogenated Diamond(111) Surfaces and Methyl Radical

Abstract

Abstract: Interactive potential energy curves between methyl radical and the clean/hydrogenated diamond(111)surfaces are first calculated by Aml molecular orbital method.The effects of relaxation and reconstruction of the surface atoms and adsorbed hydrogen atoms on the potential energy curves have been found.It is concluded that the hydrogenated diamond(111) surface is more suitable for methyl radical to adsorbed and is therefore a better growth site for diamond than the clean surface,There is a strong interaction between methyl radical and the clean/hydrogenated diamond(111) surfaces within 5 nm above the surface.We suppose that the dynamic processes in the region is important for us to research.

Key words: Methyl, Diamond(111) surface, Interaction

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LIU Bo, LI Yan-Xin, QIAN Xing-Zhong, PAN Shou-Fu. The Interaction Between Clean/Hydrogenated Diamond(111) Surfaces and Methyl Radical[J]. Chem. J. Chinese Universities, 1994, 15(1): 85.

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The Interaction Between Clean/Hydrogenated Diamond(111) Surfaces and Methyl Radical

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