The Effects on Structure and Conductivity of Nontraditional Single-Wall Carbon Nanotubes by Adsorbed Br Atoms
SWCNT have attracted extensive attention due to the unique properties. Modifying the electronic properties of SWCNT is helpful for further widening their potential applications. In this paper, the structure, adsorption energy and conductivity with different number of adsorbed Br atoms
on the outside surface of 3/8 SWCNT are investigated. Compared with the pure 3/8 SWCNT unadsorbed Br atoms, the 3/8 SWCNT after Br atoms adsorbed is of more conductivity. The adsorption energy date indicate the most favorable site of Br atom is the face 4+6 site on the 3/8 SWCNT. By the analyzing
the relation between the conductivity and the number of adsorbed Br atom, the conductivity of Br atom modified 3/8 SWCNT has been improved significantly.
Keywords: CONDUCTIVITY; MODIFIED; STRUCTURE; SWCNT
Document Type: Research Article
Publication date: 01 October 2013
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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