Han, X;
Stewart, HM;
Shevlin, SA;
Catlow, CR;
Guo, ZX;
(2014)
Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons.
Nano Letters
, 14
(8)
pp. 4607-4614.
10.1021/nl501658d.
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Abstract
Passivated phosphorene nanoribbons, armchair (a-PNR), diagonal (d-PNR), and zigzag (z-PNR), were investigated using density functional theory. Z-PNRs demonstrate the greatest quantum size effect, tuning the bandgap from 1.4 to 2.6 eV when the width is reduced from 26 to 6 Å. Strain effectively tunes charge carrier transport, leading to a sudden increase in electron effective mass at +8% strain for a-PNRs or hole effective mass at +3% strain for z-PNRs, differentiating the (mh*/me*) ratio by an order of magnitude in each case. Straining of d-PNRs results in a direct to indirect band gap transition at either -7% or +5% strain and therein creates degenerate energy valleys with potential applications for valleytronics and/or photocatalysis.
| Type: | Article |
|---|---|
| Title: | Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/nl501658d |
| Publisher version: | http://dx.doi.org/10.1021/nl501658d |
| Language: | English |
| Additional information: | This document is the Accepted Manuscript version of a Published Work that appeared in final form in the Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/nl501658d |
| Keywords: | Phosphorene; black phosphorus; nanostructures; band structure; strain effect |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1447458 |
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