Theoretical Study On Electrical Conductivity Of Au Nanotube

Since Au-nanotube was compounded by a research group led by Professor Takayanagi, Kunio in Tokyo Institute of Technology Japan in 2000, Au-nanotube has been paid more attention by molecule physicist and material physicist and has become a front subject of the field of material science because of these special properties, such as electricity, optics, electromagnetism, structure, superconductivity and high catalytic activity and so on. With the increasing improvement of facilities and methods, the research findings on Au-nanotube has been applied to these fields, such as biosensor, photochemistry and electrochemistry catalysis and photo-electronic device etc., but the study on its electrical conductivity is still in its assumption and experiment. Therefore, this paper used the relevant software of computational chemistry to conduct simulation experiment, and aimed at exploring the rules of Au-nanotube's conductivity, and then providing reference data for research of this field through using.In this paper, ATK, Gaussian03 and GaussView were applied to conduct calculation on Au-nanotubes whose diameters are (3.3), (4.4), (5.5), (6.3), (6.6), (8.4), (10.5), (12.6), in order to study the relationship between current and voltage of Au-nanotube with different lengths and transmission spectrum and perform further analysis together with its geometric structure. The research results indicated that electrical conductivity of eight types of Au-nanotube can enhance with the increase of its diameter, but almost without reference to its length. And, this conclusion was verified again through the analysis of transmission spectrum. Also, it can be found that the geometrical structure of Au-nanotube is one of reasons influencing its electrical conductivity. It is hoped that the research can provide theoretical basis for practical application of Au-nanotube.