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    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27697


    Title: Dependence of workfunction on the geometries of single-walled carbon nanotubes
    Authors: Chen, Chun-wei;Lee, Ming-hsien
    Contributors: 淡江大學物理學系
    Keywords: electrical;magnetic and optical Surfaces;interfaces and thin films;Nanoscale science and low-D systems
    Date: 2004-05
    Issue Date: 2009-12-31 10:38:16 (UTC+8)
    Publisher: Institute of Physics (IOP)
    Abstract: 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.
    Relation: Nanotechnology 15(5), pp.480-484
    DOI: 10.1088/0957-4484/15/5/013
    Appears in Collections:[物理學系暨研究所] 期刊論文

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