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中国物理学会期刊

氧吸附对单壁碳纳米管的电子结构和光学性能的影响

CSTR: 32037.14.aps.54.2877

Effects of oxygen adsorption on the electronic structure and optical properties of single-wall carbon nanotubes

CSTR: 32037.14.aps.54.2877
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  • 用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能,能带结构和吸收 光谱.计算结果指出氧分子吸附在碳纳米管表面的优先位置,研究发现氧吸附对碳管的电子 输运特性和吸收光谱有着重要的影响,并对光致氧分子解吸附的现象进行了理论分析.

     

    The binding energy,energy band structure and optical properties of the oxygen physical adsorption on semiconducting single_wall carbon nanotube are studied by the density functional theory. The most stable adsorption site is the one in which the oxygen molecule lies above the center of the carbon ring. It is showed th at the oxygen physical adsorption strongly affects the transport properties and the optical absorption spectra of carbon nanotubes. And the phenomenon of oxygen photoinduced desorption has been explained theoretically.

     

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