@article{
author = "Popov, Igor and Yang, Teng and Berber, Savas and Seifert, Gotthard and Tomanek, David",
year = "2007",
abstract = "We combine ab initio density functional and quantum transport calculations based on the nonequilibrium Green's function formalism to compare structural, electronic, and transport properties of Mo6S6-xIx nanowires with carbon nanotubes. We find systems with x=2 to be particularly stable and rigid, with their electronic structure and conductance close to that of metallic (13,13) single-wall carbon nanotubes. Mo6S6-xIx nanowires are conductive irrespective of their structure, more easily separable than carbon nanotubes, and capable of forming ideal contacts to Au leads through thio groups.",
publisher = "Amer Physical Soc, College Pk",
journal = "Physical Review Letters",
title = "Unique structural and transport properties of molybdenum chalcohalide nanowires",
number = "8",
volume = "99",
doi = "10.1103/PhysRevLett.99.085503"
}