A computational study of the quantum transport properties of a Cu-CNT composite

作者:Ghorbani Asl Mahdi*; Bristowe Paul D; Koziol Krzysztof
来源:Physical Chemistry Chemical Physics, 2015, 17(28): 18273-18277.
DOI:10.1039/c5cp01470k

摘要

The quantum transport properties of a Cu-CNT composite are studied using a non-equilibrium Green's function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT density and alignment but more weakly on chirality. Alignment with the applied bias is preferred and the conductance of the composite increases as its mass density increases.

  • 出版日期2015