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Phase Transition of MoS2 Bilayer Structures

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dc.contributor.author Pandey, Mohnish
dc.contributor.author Bothra, Pallavi
dc.contributor.author Pati, Swapan Kumar
dc.date.accessioned 2017-01-24T06:44:42Z
dc.date.available 2017-01-24T06:44:42Z
dc.date.issued 2016
dc.identifier.citation Pandey, M.; Bothra, P.; Pati, S. K., Phase Transition of MoS2 Bilayer Structures. Journal of Physical Chemistry C 2016, 120 (7), 3776-3780 http://dx.doi.org/10.1021/acs.jpcc.5b10904 en_US
dc.identifier.citation Journal of Physical Chemistry C en_US
dc.identifier.citation 120 en_US
dc.identifier.citation 7 en_US
dc.identifier.issn 1932-7447
dc.identifier.uri https://libjncir.jncasr.ac.in/xmlui/10572/2252
dc.description Open Access (Accepted Manuscript) en_US
dc.description.abstract In the present study, using density functional calculations we have investigated a possible mechanism for the structural phase transition of the semiconducting bilayer 2H-MoS2 via lithiation. The results indicate that the addition of lithium to the bilayer 2H-MoS2 transforms the bilayer to a heterostructure of the 2H and 1T structures instead of a complete conversion to the 1T bilayer structure. Therefore, we propose that the desired synthesis of the 1T-MoS2 from the bulk 2H-MoS2 takes place through the hybrid 2H-1T structure. Our finding gives physical insight into the experimentally described microscopic mechanism of the phase transition in MoS2 and enriches the atomic scale understanding of the interaction of MoS2 with the alkali ions and other transition metal dichalcogenides manifesting a similar phase transition. en_US
dc.description.uri http://dx.doi.org/10.1021/acs.jpcc.5b10904 en_US
dc.language.iso English en_US
dc.publisher American Chemical Society en_US
dc.rights @American Chemical Society, 2016 en_US
dc.subject Chemistry en_US
dc.subject Materials Science en_US
dc.subject Single-Layer Mos2 en_US
dc.subject Monolayer Mos2 en_US
dc.subject Metal Dichalcogenides en_US
dc.subject Hydrogen Evolution en_US
dc.subject 2-Dimensional Mos2 en_US
dc.subject Photoluminescence en_US
dc.subject Intercalation en_US
dc.subject Phototransistors en_US
dc.subject Exfoliation en_US
dc.subject Nanoflakes en_US
dc.title Phase Transition of MoS2 Bilayer Structures en_US
dc.type Article en_US


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