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中国物理学会期刊

金刚石表面无定形碳氢薄膜生长的分子动力学模拟

CSTR: 32037.14.aps.64.018102

Molecular dynamics simulations on the growth of thin amorphous hydrogenated carbon films on diamond surface

CSTR: 32037.14.aps.64.018102
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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CC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.

     

    The growth of thin amorphous hydrogenated carbon films (a-C:H) on diamond (111) surface from the bombardment of CH2 radicals is studied using molecular dynamics simulations. Structural analysis shows that the local structure (e.g., the first coordination number of C atoms) of a-C:H depends critically on the content of hydrogen. The increase in kinetic energy of incident radicals leads to the decrease of hydrogen content, which subsequently changes the proportion of sp3 bonded C atoms in a-C:H.

     

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