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利用分子动力学模拟方法研究了CH2基团轰击金刚石(111)面所形成的无定形碳氢薄膜(a-C:H)的生长过程.结构分析表明,得到的无定形碳氢薄膜中碳原子的局域结构(如C—C第一近邻数)与其中氢原子的含量密切相关.CH2基团入射能量的增加会导致得到的薄膜的氢含量降低,从而改变薄膜中类sp3成键碳原子的比例.
Molecular dynamics simulation was used to study the growth of amorphous hydrocarbon films (aC: H) formed by bombarding diamond (111) surface with CH2 group. The structural analysis showed that the carbon atoms in the amorphous hydrocarbon film The domain structure (such as the number of the first neighbors of C-C) is closely related to the content of hydrogen atoms, and the increase of the incident energy of CH 2 group will lead to the reduction of the hydrogen content of the obtained film and thus the ratio of sp3-bonded carbon atoms in the film .