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Two-Dimensional Rectangular and Honeycomb Lattices of NbN: Emergence of Piezoelectric and Photocatalytic Properties at Nanoscale

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dc.contributor.author Anand, Shashwat
dc.contributor.author Thekkepat, Krishnamohan
dc.contributor.author Waghmare, Umesh V.
dc.date.accessioned 2017-01-24T06:50:13Z
dc.date.available 2017-01-24T06:50:13Z
dc.date.issued 2016
dc.identifier.citation Anand, S.; Thekkepat, K.; Waghmare, U. V., Two-Dimensional Rectangular and Honeycomb Lattices of NbN: Emergence of Piezoelectric and Photocatalytic Properties at Nanoscale. Nano Letters 2016, 16 (1), 126-131 http://dx.doi.org/10.1021/acs.nanolett.5b03275 en_US
dc.identifier.citation Nano Letters en_US
dc.identifier.citation 16 en_US
dc.identifier.citation 1 en_US
dc.identifier.issn 1530-6984
dc.identifier.uri https://libjncir.jncasr.ac.in/xmlui/10572/2267
dc.description Restricted Access en_US
dc.description.abstract Using first-principles calculations, we predict that monolayered honeycomb and rectangular two-dimensional (2D) lattice forms of NbN are metastable and naturally derivable from different orientations of its rocksalt structure. While the rectangular form is shown to retain the metallic and superconducting (SC) properties of the bulk, spectacularly contrasting properties emerge in the honeycomb form of NbN: it exhibits (a) semiconducting electronic structure suitable for valleytronics and photocatalysis of water splitting, (b) piezoelectricity with a spontaneous polarization originating from a rare sd(2)-sp(2) type hybridization, and (c) a wide gap in its phonon spectrum making it suitable for use in hot carrier solar cells. Our work demonstrates how low coordination numbers and associated strong bonding stabilize 2D nanoforms of covalently bonded solids and introduce novel functionalities of technological importance. en_US
dc.description.uri 1530-6992 en_US
dc.description.uri http://dx.doi.org/10.1021/acs.nanolett.5b03275 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 Physics en_US
dc.subject Two-dimensional materials en_US
dc.subject first-principles en_US
dc.subject piezoelectricity en_US
dc.subject superconductivity en_US
dc.subject photocatalysis en_US
dc.subject photovoltaics en_US
dc.subject Single-Layer Mos2 en_US
dc.subject Monolayer Mos2 en_US
dc.subject Transition en_US
dc.subject Photoluminescence en_US
dc.subject 1st-Principles en_US
dc.subject Temperature en_US
dc.subject Nanosheets en_US
dc.subject Nitride en_US
dc.title Two-Dimensional Rectangular and Honeycomb Lattices of NbN: Emergence of Piezoelectric and Photocatalytic Properties at Nanoscale en_US
dc.type Article en_US


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