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Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.susc.2008.06.006
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dc.titleSurface reconstruction of MoS2 to Mo2S3
dc.contributor.authorTiwari, R.K.
dc.contributor.authorYang, J.
dc.contributor.authorSaeys, M.
dc.contributor.authorJoachim, C.
dc.date.accessioned2014-10-09T07:02:59Z
dc.date.available2014-10-09T07:02:59Z
dc.date.issued2008-08-01
dc.identifier.citationTiwari, R.K., Yang, J., Saeys, M., Joachim, C. (2008-08-01). Surface reconstruction of MoS2 to Mo2S3. Surface Science 602 (15) : 2628-2633. ScholarBank@NUS Repository. https://doi.org/10.1016/j.susc.2008.06.006
dc.identifier.issn00396028
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/90240
dc.description.abstractThe effect of thermal treatments up to 1300 K on the surface structure of MoS2 was studied using scanning tunneling microscopy. The surface of MoS2 remained atomically perfect up to 1200 K. Above 1300 K, a reconstruction of the top layers of MoS2 to Mo2S3 was observed, leading to one-dimensional atomic double rows on the reconstructed surface. First principles based thermodynamic calculations indicate that the thermodynamically preferred surface is the sulfur rich (0 0 1) termination. Low voltage STM simulations using the ESQC method show good agreement with experimental images. © 2008 Elsevier B.V. All rights reserved.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.susc.2008.06.006
dc.sourceScopus
dc.subjectAb initio quantum chemical methods and calculations
dc.subjectDensity functional calculations
dc.subjectElectron transport
dc.subjectPhase transition
dc.subjectScanning tunneling microscopy
dc.subjectSurface relaxation and reconstruction
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1016/j.susc.2008.06.006
dc.description.sourcetitleSurface Science
dc.description.volume602
dc.description.issue15
dc.description.page2628-2633
dc.description.codenSUSCA
dc.identifier.isiut000259341300002
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