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dc.creatorPopov, Igor
dc.creatorSeifert, Gotthard
dc.creatorTomanek, David
dc.date.accessioned2022-04-05T14:32:54Z
dc.date.available2022-04-05T14:32:54Z
dc.date.issued2012
dc.identifier.issn0031-9007
dc.identifier.urihttp://rimsi.imsi.bg.ac.rs/handle/123456789/516
dc.description.abstractStudying 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.en
dc.publisherAmer Physical Soc, College Pk
dc.relationNational Science FoundationNational Science Foundation (NSF) [EEC-0832785]
dc.relationEuropean Research Council (ERC)European Research Council (ERC) [INTIF 226639]
dc.relationScience Foundation of Ireland (SFI)Science Foundation Ireland
dc.relationCRANNScience Foundation Ireland
dc.rightsrestrictedAccess
dc.sourcePhysical Review Letters
dc.subjecttransition metal chalcohalides / two-dimensional materials / density functional theory / structural properties / electronic properties
dc.titleDesigning Electrical Contacts to MoS2 Monolayers: A Computational Studyen
dc.typearticle
dc.rights.licenseARR
dc.citation.issue15
dc.citation.other108(15): -
dc.citation.rankaM21
dc.citation.volume108
dc.identifier.doi10.1103/PhysRevLett.108.156802
dc.identifier.pmid22587274
dc.identifier.scopus2-s2.0-84859795935
dc.identifier.wos000302638900006
dc.type.versionpublishedVersion


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