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    題名: Dependence of workfunction on the geometries of single-walled carbon nanotubes
    作者: Chen, Chun-wei;Lee, Ming-hsien
    貢獻者: 淡江大學物理學系
    關鍵詞: electrical;magnetic and optical Surfaces;interfaces and thin films;Nanoscale science and low-D systems
    日期: 2004-05
    上傳時間: 2009-12-31 10:38:16 (UTC+8)
    出版者: Institute of Physics (IOP)
    摘要: The effective workfunctions of single-walled carbon nanotubes of armchair (5,5) and zigzag (9,0) with various geometries have been calculated by first-principles calculations. The results show that the capped and H-terminated zigzag (9,0) carbon nanotubes exhibit a lower workfunction value than the armchair (5,5) nanotubes with a similar diameter. The open-ended (without H termination) (5,5) nanotube, on the other hand, shows a lower workfunction than the open-ended (9,0) structure. The former exhibits a significant formation of triple bonds at its mouth part after relaxation, which reduces the surface dipole and lowers its workfunction, the latter exhibits a higher density of unsaturated dangling bonds, raising its surface dipole and giving a higher value of workfunction.
    關聯: Nanotechnology 15(5), pp.480-484
    DOI: 10.1088/0957-4484/15/5/013
    顯示於類別:[物理學系暨研究所] 期刊論文

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