Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/6136
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dc.contributor.authorKandemir, Ali-
dc.contributor.authorYapıcıoğlu, Haluk-
dc.contributor.authorKınacı, Alper-
dc.contributor.authorÇalın, Tahir-
dc.contributor.authorSevik, Cem-
dc.date.accessioned2017-08-16T13:10:50Z
dc.date.available2017-08-16T13:10:50Z
dc.date.issued2016-01-11
dc.identifier.citationKandemir, A., Yapıcıoğlu, H., Kınacı, A., Çalın, T., and Sevik, C. (2016). Thermal transport properties of MoS2 and MoSe2 monolayers. Institute of Physics Publishing, 37(5). doi:10.1088/0957-4484/27/5/055703en_US
dc.identifier.issn0957-4484
dc.identifier.issn0957-4484-
dc.identifier.issn1361-6528-
dc.identifier.urihttp://doi.org/10.1088/0957-4484/27/5/055703
dc.identifier.urihttp://hdl.handle.net/11147/6136
dc.description.abstractThe isolation of single- to few-layer transition metal dichalcogenides opens new directions in the application of two-dimensional materials to nanoelectronics. The characterization of thermal transport in these new low-dimensional materials is needed for their efficient implementation, either for general overheating issues or specific applications in thermoelectric devices. In this study, the lattice thermal conductivities of single-layer MoS2 and MoSe2 are evaluated using classical molecular dynamics methods. The interactions between atoms are defined by Stillinger-Weber-type empirical potentials that are developed to represent the structural, mechanical, and vibrational properties of the given materials. In the parameterization of the potentials, a stochastic optimization algorithm, namely particle swarm optimization, is utilized. The final parameter sets produce quite consistent results with density functional theory in terms of lattice parameters, bond distances, elastic constants, and vibrational properties of both single-layer MoS2 and MoSe2. The predicted thermal properties of both materials are in very good agreement with earlier first-principles calculations. The discrepancies between the calculations and experimental measurements are most probably caused by the pristine nature of the structures in our simulations.en_US
dc.description.sponsorshipAnadolu University (BAP-1407F335 -1505F200); NSF (DMR 0844082); US Department of Energy, Office of Science, Office of Basic Energy Sciences (DE-AC02-06CH11357); Turkish Academy of Sciences (TUBA-GEBIP)en_US
dc.language.isoenen_US
dc.publisherIOP Publishing Ltd.en_US
dc.relation.ispartofNanotechnologyen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectMolecular dynamicsen_US
dc.subjectGreen-Kuboen_US
dc.subjectThermal conductivityen_US
dc.subjectTransition metal dichalcogenidesen_US
dc.subjectMolybdenum compoundsen_US
dc.titleThermal transport properties of MoS2 and MoSe2 monolayersen_US
dc.typeArticleen_US
dc.authoridTR226858en_US
dc.institutionauthorKandemir, Ali-
dc.departmentİzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume37en_US
dc.identifier.issue5en_US
dc.identifier.wosWOS:000368894300017en_US
dc.identifier.scopus2-s2.0-84954305661en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1088/0957-4484/27/5/055703-
dc.identifier.pmid26752165en_US
dc.relation.doi10.1088/0957-4484/27/5/055703en_US
dc.coverage.doi10.1088/0957-4484/27/5/055703en_US
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityQ1-
dc.identifier.wosqualityttpTop10%en_US
item.fulltextWith Fulltext-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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