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【期刊论文】Cold compaction of copper powders under mechanical vibration and uniaxial compression
安希忠
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-1年11月30日
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安希忠, Xizhong An, Guoquan Liu, Fuzhong Wang, Shengxin Liu
Diamond and Related Materials 12 (2003) 2169–2174,-0001,():
-1年11月30日
Electronic structure calculation was carried out for the hydrogen-terminated carbon cluster designed to model the {111}-oriented diamond surface, Cd (111).Using LDA method with local generalised gradient corrections, the subject of the calculation included the adsorption of single-carbon species and double-carbon species on an activated diamond surface. The results showed that: (1) Single-carbon species will more likely result in {111}-oriented CVD diamond film growth than double-carbon species, however, the role of double-carbon species should not be ignored; (2) The adsorption of single-carbon species on activated site makes the system more stable than that of double-carbon species. (3) Our computation result of CH3 adsorption on growth surface is in good agreement with that acquired both theoretically and experimentally.
CVD diamond, Quantum mechanics, LDA method, Surface chemisorptions
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