Electronic structure of the contact between carbon nanotube and metal electrodes

Publisher Website
Google Scholar
Abstract
Our first-principles study of the contact between a semiconducting single-walled carbon nanotube (s-SWNT) and metalelectrodes shows that the electronic structure and potential depend strongly on the type of metal. The s-SWNT is weakly side-bonded to the goldsurface with minute charge rearrangement and remains semiconducting. A finite potential barrier forms at the contact region. In contrast, the molybdenumsurface forms strong bonds, resulting in significant charge transfer and metallicity at the contact. The radial deformation of the tube lowers the potential barrier at the contact and increases the state density at the Fermi level.