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Unique structural and transport properties of molybdenum chalcohalide nanowires
dc.creator | Popov, Igor | |
dc.creator | Yang, Teng | |
dc.creator | Berber, Savas | |
dc.creator | Seifert, Gotthard | |
dc.creator | Tomanek, David | |
dc.date.accessioned | 2022-04-05T14:13:45Z | |
dc.date.available | 2022-04-05T14:13:45Z | |
dc.date.issued | 2007 | |
dc.identifier.issn | 0031-9007 | |
dc.identifier.uri | http://rimsi.imsi.bg.ac.rs/handle/123456789/231 | |
dc.description.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. | en |
dc.publisher | Amer Physical Soc, College Pk | |
dc.rights | restrictedAccess | |
dc.source | Physical Review Letters | |
dc.subject | nanowires / transition metal chalcohalides / density functional theory / structural properties / electronic properties | |
dc.title | Unique structural and transport properties of molybdenum chalcohalide nanowires | en |
dc.type | article | |
dc.rights.license | ARR | |
dc.citation.issue | 8 | |
dc.citation.other | 99(8): - | |
dc.citation.rank | aM21 | |
dc.citation.volume | 99 | |
dc.identifier.doi | 10.1103/PhysRevLett.99.085503 | |
dc.identifier.pmid | 17930955 | |
dc.identifier.scopus | 2-s2.0-34548252850 | |
dc.identifier.wos | 000248984900024 | |
dc.type.version | publishedVersion |