TY  - JOUR
AU  - Popov, Igor
AU  - Seifert, Gotthard
AU  - Tomanek, David
PY  - 2012
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/516
AB  - Studying the reason why single-layer molybdenum disulfide (MoS2) appears to fall short of its promising potential in flexible nanoelectronics, we find that the nature of contacts plays a more important role than the semiconductor itself. In order to understand the nature of MoS2/metal contacts, we perform ab initio density functional theory calculations for the geometry, bonding, and electronic structure of the contact region. We find that the most common contact metal (Au) is rather inefficient for electron injection into single-layer MoS2 and propose Ti as a representative example of suitable alternative electrode materials.
PB  - Amer Physical Soc, College Pk
T2  - Physical Review Letters
T1  - Designing Electrical Contacts to MoS2 Monolayers: A Computational Study
IS  - 15
VL  - 108
DO  - 10.1103/PhysRevLett.108.156802
ER  - 

@article{
author = "Popov, Igor and Seifert, Gotthard and Tomanek, David",
year = "2012",
abstract = "Studying the reason why single-layer molybdenum disulfide (MoS2) appears to fall short of its promising potential in flexible nanoelectronics, we find that the nature of contacts plays a more important role than the semiconductor itself. In order to understand the nature of MoS2/metal contacts, we perform ab initio density functional theory calculations for the geometry, bonding, and electronic structure of the contact region. We find that the most common contact metal (Au) is rather inefficient for electron injection into single-layer MoS2 and propose Ti as a representative example of suitable alternative electrode materials.",
publisher = "Amer Physical Soc, College Pk",
journal = "Physical Review Letters",
title = "Designing Electrical Contacts to MoS2 Monolayers: A Computational Study",
number = "15",
volume = "108",
doi = "10.1103/PhysRevLett.108.156802"
}

Popov, I., Seifert, G.,& Tomanek, D.. (2012). Designing Electrical Contacts to MoS2 Monolayers: A Computational Study. in Physical Review Letters
Amer Physical Soc, College Pk., 108(15).
https://doi.org/10.1103/PhysRevLett.108.156802

Popov I, Seifert G, Tomanek D. Designing Electrical Contacts to MoS2 Monolayers: A Computational Study. in Physical Review Letters. 2012;108(15).
doi:10.1103/PhysRevLett.108.156802 .

Popov, Igor, Seifert, Gotthard, Tomanek, David, "Designing Electrical Contacts to MoS2 Monolayers: A Computational Study" in Physical Review Letters, 108, no. 15 (2012),
https://doi.org/10.1103/PhysRevLett.108.156802 . .

TY  - 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 . .