Unique structural and transport properties of molybdenum chalcohalide nanowires
Само за регистроване кориснике
2007
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
nanowires / transition metal chalcohalides / density functional theory / structural properties / electronic propertiesИзвор:
Physical Review Letters, 2007, 99, 8Издавач:
- Amer Physical Soc, College Pk
DOI: 10.1103/PhysRevLett.99.085503
ISSN: 0031-9007
PubMed: 17930955
WoS: 000248984900024
Scopus: 2-s2.0-34548252850
Институција/група
Institut za multidisciplinarna istraživanjaTY - JOUR AU - Popov, Igor AU - Yang, Teng AU - Berber, Savas AU - Seifert, Gotthard AU - Tomanek, David PY - 2007 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/231 AB - 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. PB - Amer Physical Soc, College Pk T2 - Physical Review Letters T1 - Unique structural and transport properties of molybdenum chalcohalide nanowires IS - 8 VL - 99 DO - 10.1103/PhysRevLett.99.085503 ER -
@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" }
Popov, I., Yang, T., Berber, S., Seifert, G.,& Tomanek, D.. (2007). Unique structural and transport properties of molybdenum chalcohalide nanowires. in Physical Review Letters Amer Physical Soc, College Pk., 99(8). https://doi.org/10.1103/PhysRevLett.99.085503
Popov I, Yang T, Berber S, Seifert G, Tomanek D. Unique structural and transport properties of molybdenum chalcohalide nanowires. in Physical Review Letters. 2007;99(8). doi:10.1103/PhysRevLett.99.085503 .
Popov, Igor, Yang, Teng, Berber, Savas, Seifert, Gotthard, Tomanek, David, "Unique structural and transport properties of molybdenum chalcohalide nanowires" in Physical Review Letters, 99, no. 8 (2007), https://doi.org/10.1103/PhysRevLett.99.085503 . .