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dc.contributor.authorFilinchuk, Yaroslav
Tumanov, Nikolay A.
Ban, Voraksmy
Ji, Heng
Wei, Jiang
Swift, Michael W.
Nevidomskyy, Andriy H.
Natelson, Douglas
dc.date.accessioned 2015-07-08T19:59:46Z
dc.date.available 2015-07-08T19:59:46Z
dc.date.issued 2014
dc.identifier.citation Filinchuk, Yaroslav, Tumanov, Nikolay A., Ban, Voraksmy, et al.. "In Situ Diffraction Study of Catalytic Hydrogenation of VO2: Stable Phases and Origins of Metallicity." Journal of the American Chemical Society, 136, no. 22 (2014) American Chemical Society: 8100-8109. http://dx.doi.org/10.1021/ja503360y.
dc.identifier.urihttps://hdl.handle.net/1911/80848
dc.description.abstract Controlling electronic population through chemical doping is one way to tip the balance between competing phases in materials with strong electronic correlations. Vanadium dioxide exhibits a first-order phase transition at around 338 K between a high-temperature, tetragonal, metallic state (T) and a low-temperature, monoclinic, insulating state (M1), driven by electronヨelectron and electronヨlattice interactions. Intercalation of VO2 with atomic hydrogen has been demonstrated, with evidence that this doping suppresses the transition. However, the detailed effects of intercalated H on the crystal and electronic structure of the resulting hydride have not been previously reported. Here we present synchrotron and neutron diffraction studies of this material system, mapping out the structural phase diagram as a function of temperature and hydrogen content. In addition to the original T and M1 phases, we find two orthorhombic phases, O1 and O2, which are stabilized at higher hydrogen content. We present density functional calculations that confirm the metallicity of these states and discuss the physical basis by which hydrogen stabilizes conducting phases, in the context of the metalヨinsulator transition.
dc.language.iso eng
dc.publisher American Chemical Society
dc.rights This is an author's peer-reviewed final manuscript, as accepted by the publisher. The published article is the American Chemical Society.
dc.title In Situ Diffraction Study of Catalytic Hydrogenation of VO2: Stable Phases and Origins of Metallicity
dc.type Journal article
dc.citation.journalTitle Journal of the American Chemical Society
dc.citation.volumeNumber 136
dc.citation.issueNumber 22
dc.type.dcmi Text
dc.identifier.doihttp://dx.doi.org/10.1021/ja503360y
dc.identifier.pmid 24825186
dc.type.publication post-print
dc.citation.firstpage 8100
dc.citation.lastpage 8109


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