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Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons
Open accessAbstract
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.
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Cited by
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Moniz, S. J. A., Shevlin, S. A., Martin, D. J., Guo, Z.-X., & Tang, J. (2015) · Energy & Environmental Science · doi:10.1039/c4ee03271c · Cited by 2,363
Self-citationZeng, M., Xiao, Y., Liu, J., Yang, K., & Fu, L. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00633 · Cited by 574
Applications of Phosphorene and Black Phosphorus in Energy Conversion and Storage Devices
Pang, J., Bachmatiuk, A., Yin, Y., Trzebicka, B., Zhao, L., Fu, L., Mendes, R. G., Gemming, T., Liu, Z., & Rummeli, M. H. (2018) · Advanced Energy Materials · doi:10.1002/aenm.201702093 · Cited by 518
Nine New Phosphorene Polymorphs with Non-Honeycomb Structures: A Much Extended Family
Wu, M., Fu, H., Zhou, L., Yao, K., & Zeng, X. C. (2015) · Nano Letters · doi:10.1021/acs.nanolett.5b01041 · Cited by 319
Metadata
- Authors
- Han, X., Stewart, H. M., Shevlin, S. A., Catlow, C. R. A., & Guo, Z. X.
- Venue
- Nano Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-07-16
- Volume
- 14
- Issue
- 8
- Pages
- 4607-4614
- ISSN
- 1530-6984 (ISSN-L)
- 1530-6992
- OpenAlex
- W1974965019
- Cited by
- 333
- References
- 0
- FWCI
- 21.59
- Type
- journal article
- Language
- en
- Open access
- green
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- Han, X., Stewart, H. M., Shevlin, S. A., Catlow, C. R. A., & Guo, Z. X. (2014). Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons. Nano Letters. https://doi.org/10.1021/nl501658d
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