dc.contributor.author |
Anand, Shashwat
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dc.contributor.author |
Thekkepat, Krishnamohan
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dc.contributor.author |
Waghmare, Umesh V.
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dc.date.accessioned |
2017-01-24T06:50:13Z |
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dc.date.available |
2017-01-24T06:50:13Z |
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dc.date.issued |
2016 |
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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 |
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dc.identifier.uri |
https://libjncir.jncasr.ac.in/xmlui/10572/2267 |
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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 |
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dc.language.iso |
English |
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dc.publisher |
American Chemical Society |
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dc.rights |
@American Chemical Society, 2016 |
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dc.subject |
Chemistry |
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dc.subject |
Materials Science |
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dc.subject |
Physics |
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dc.subject |
Two-dimensional materials |
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dc.subject |
first-principles |
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dc.subject |
piezoelectricity |
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dc.subject |
superconductivity |
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dc.subject |
photocatalysis |
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dc.subject |
photovoltaics |
en_US |
dc.subject |
Single-Layer Mos2 |
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dc.subject |
Monolayer Mos2 |
en_US |
dc.subject |
Transition |
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dc.subject |
Photoluminescence |
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dc.subject |
1st-Principles |
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dc.subject |
Temperature |
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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 |