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Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers
Open accessAbstract
We perform a comprehensive first-principles study of the electronic properties of phosphorene nanoribbons, phosphorus nanotubes, multilayer phosphorene sheets, and heterobilayers of phosphorene and two-dimensional (2D) transition-metal dichalcogenide (TMDC) monolayer. The tensile strain and electric-field effects on electronic properties of low-dimensional phosphorene nanostructures are also investigated. Our calculations show that the bare zigzag phosphorene nanoribbons (z-PNRs) are metals regardless of the ribbon width, whereas the bare armchair phosphorene nanoribbons (a-PNRs) are semiconductors with indirect bandgaps and the bandgaps decrease with increasing ribbon width. We find that compressive (or tensile) strains can reduce (or enlarge) the bandgap of the bare a-PNRs while an in-plane electric field can significantly reduce the bandgap of the bare a-PNRs, leading to the semiconductor-to-metal transition beyond certain electric field. For edge-passivated PNR by hydrogen, z-PNRs become semiconductor with nearly direct bandgaps and a-PNRs are still semiconductor but with direct bandgaps. The response to tensile strain and electric field for the edge-passivated PNRs is similar to that for the edge-unpassivated (bare) a-PNRs. For single-walled phosphorus nanotubes, both armchair and zigzag nanotubes are semiconductors with direct bandgaps. With either tensile strains or transverse electric field, behavior of bandgap modulation similar to that for a-PNRs can arise. It is known that multilayer phosphorene sheets are semiconductors whose bandgaps decrease with an increase in the number of multilayers. In the presence of a vertical electric field, the bandgaps of multilayer phosphorene sheets decrease with increasing electric field and the bandgap modulation is more significant with more layers. Lastly, heterobilayers of phosphorene (p-type) with an n-type TMDC (MoS 2 or WS 2 ) monolayer are still semiconductors while their bandgaps can be reduced by applying a vertical electric field as well. We also show that the combined phosphorene/MoS 2 heterolayers can be an effective solar cell material. Our estimated power conversion efficiency for the phosphorene/MoS 2 heterobilayer has a theoretical maximum value of 17.5%.
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Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Electric Field Effect in Atomically Thin Carbon Films
Novoselov, K. S., Geim, A. K., Morozov, S. V., Jiang, D., Zhang, Y., Dubonos, S. V., Grigorieva, I. V., & Firsov, A. A. (2004) · Science · doi:10.1126/science.1102896 · Cited by 66,834
Ab initio molecular dynamics for liquid metals
Kresse, G., & Hafner, J. (1993) · Physical Review B · doi:10.1103/physrevb.47.558 · Cited by 45,727
First principles methods using CASTEP
Clark, S. J., Segall, M. D., Pickard, C. J., Hasnip, P. J., Probert, M. I. J., Refson, K., & Payne, M. C. (2005) · Zeitschrift für Kristallographie - Crystalline Materials · doi:10.1524/zkri.220.5.567.65075 · Cited by 14,633
First-principles simulation: ideas, illustrations and the CASTEP code
Segall, M. D., Lindan, P. J. D., Probert, M. J., Pickard, C. J., Hasnip, P. J., Clark, S. J., & Payne, M. C. (2002) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/14/11/301 · Cited by 11,853
Van der Waals heterostructures
Geim, A. K., & Grigorieva, I. V. (2013) · Nature · doi:10.1038/nature12385 · Cited by 10,875
A molecular dynamics method for simulations in the canonical ensemble
Nosé, S. (1984) · Molecular Physics · doi:10.1080/00268978400101201 · Cited by 10,076
Black phosphorus field-effect transistors
Li, L., Yu, Y., Ye, G. J., Ge, Q., Ou, X., Wu, H., Feng, D., Chen, X. H., & Zhang, Y. (2014) · Nature Nanotechnology · doi:10.1038/nnano.2014.35 · Cited by 8,413
Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility
Liu, H., Neal, A. T., Zhu, Z., Luo, Z., Xu, X., Tománek, D., & Ye, P. D. (2014) · ACS Nano · doi:10.1021/nn501226z · Cited by 6,480
Molecular dynamics simulations at constant pressure and/or temperature
Andersen, H. C. (1980) · The Journal of Chemical Physics · doi:10.1063/1.439486 · Cited by 5,758
Heyd, J., Scuseria, G. E., & Ernzerhof, M. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2204597 · Cited by 5,288
Van der Waals density functionals applied to solids
Klimeš, J., Bowler, D. R., & Michaelides, A. (2011) · Physical Review B · doi:10.1103/physrevb.83.195131 · Cited by 4,624
High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
Qiao, J., Kong, X., Hu, Z.-X., Yang, F., & Ji, W. (2014) · Nature Communications · doi:10.1038/ncomms5475 · Cited by 4,442
Chemical accuracy for the van der Waals density functional
Klimeš, J., Bowler, D. R., & Michaelides, A. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/2/022201 · Cited by 3,587
Xia, F., Wang, H., & Jia, Y. (2014) · Nature Communications · doi:10.1038/ncomms5458 · Cited by 3,516
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
Neugebauer, J., & Scheffler, M. (1992) · Physical Review B · doi:10.1103/physrevb.46.16067 · Cited by 2,842
Bandgap Engineering of Strained Monolayer and Bilayer MoS2
Conley, H. J., Wang, B., Ziegler, J. I., Haglund, R. F., Pantelides, S. T., & Bolotin, K. I. (2013) · Nano Letters · doi:10.1021/nl4014748 · Cited by 2,497
Layer-controlled band gap and anisotropic excitons in few-layer black phosphorus
Tran, V., Soklaski, R., Liang, Y., & Yang, L. (2014) · Physical Review B · doi:10.1103/physrevb.89.235319 · Cited by 2,337
Fast and Broadband Photoresponse of Few-Layer Black Phosphorus Field-Effect Transistors
Buscema, M., Groenendijk, D. J., Blanter, S. I., Steele, G. A., van der Zant, H. S. J., & Castellanos-Gomez, A. (2014) · Nano Letters · doi:10.1021/nl5008085 · Cited by 1,656
Isolation and characterization of few-layer black phosphorus
Castellanos-Gomez, A., Vicarelli, L., Prada, E., Island, J. O., Narasimha-Acharya, K. L., Blanter, S. I., Groenendijk, D. J., Buscema, M., Steele, G. A., Alvarez, J. V., et al. (2014) · 2D Materials · doi:10.1088/2053-1583/1/2/025001 · Cited by 1,621
Strain-Induced Gap Modification in Black Phosphorus
Rodin, A. S., Carvalho, A., & Castro Neto, A. H. (2014) · Physical Review Letters · doi:10.1103/physrevlett.112.176801 · Cited by 1,523
(2012) · doi:10.1103/physrevb.85.033305 · Cited by 1,307
Strain-Engineering the Anisotropic Electrical Conductance of Few-Layer Black Phosphorus
Fei, R., & Yang, L. (2014) · Nano Letters · doi:10.1021/nl500935z · Cited by 1,282
Electric field effect in ultrathin black phosphorus
Koenig, S. P., Doganov, R. A., Schmidt, H., Castro Neto, A. H., & Özyilmaz, B. (2014) · Applied Physics Letters · doi:10.1063/1.4868132 · Cited by 1,223
Isolation and characterization of few-layer black phosphorus
Castellanos-Gómez, A., Vicarelli, L., Prada, E., Island, J. O., Narasimha-Acharya, K. L., Blanter, S. I., Groenendijk, D. J., Buscema, M., Steele, G. A., Alvarez, J. V., et al. (2014) · LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas) · Cited by 1,171
Johari, P., & Shenoy, V. B. (2012) · ACS Nano · doi:10.1021/nn301320r · Cited by 992
MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties
Li, Y., Zhou, Z., Zhang, S., & Chen, Z. (2008) · Journal of the American Chemical Society · doi:10.1021/ja805545x · Cited by 986
Dai, J., & Zeng, X. C. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz500409m · Cited by 875
Self-citationMa, Y., Dai, Y., Guo, M., Niu, C., Zhu, Y., & Huang, B. (2012) · ACS Nano · doi:10.1021/nn204667z · Cited by 856
Refinement of the crystal structure of black phosphorus
Brown, A., & Rundqvist, S. (1965) · Acta Crystallographica · doi:10.1107/s0365110x65004140 · Cited by 715
Exceptional Tunability of Band Energy in a Compressively Strained Trilayer MoS2 Sheet
Hui, Y. Y., Liu, X., Jie, W., Chan, N. Y., Hao, J., Hsu, Y.-T., Li, L.-J., Guo, W., & Lau, S. P. (2013) · ACS Nano · doi:10.1021/nn4024834 · Cited by 661
Tunable band gaps in bilayer transition-metal dichalcogenides
Ramasubramaniam, A., Naveh, D., & Towe, E. (2011) · Physical Review B · doi:10.1103/physrevb.84.205325 · Cited by 658
The Electrical Properties of Black Phosphorus
Keyes, R. W. (1953) · Physical Review · doi:10.1103/physrev.92.580 · Cited by 565
Measurement of mobility in dual-gated MoS2 transistors
Fuhrer, M. S., & Hone, J. (2013) · Nature Nanotechnology · doi:10.1038/nnano.2013.30 · Cited by 508
Tensile Strain Switched Ferromagnetism in Layered NbS2 and NbSe2
Zhou, Y., Wang, Z., Yang, P., Zu, X., Yang, L., Sun, X., & Gao, F. (2012) · ACS Nano · doi:10.1021/nn303198w · Cited by 380
MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field
Lu, N., Guo, H., Li, L., Dai, J., Wang, L., Mei, W.-N., Wu, X., & Zeng, X. C. (2014) · Nanoscale · doi:10.1039/c3nr06072a · Cited by 372
Self-citationEffect of van der Waals interactions on the structural and elastic properties of black phosphorus
Appalakondaiah, S., Vaitheeswaran, G., Lebègue, S., Christensen, N. E., & Svane, A. (2012) · Physical Review B · doi:10.1103/physrevb.86.035105 · Cited by 367
Liu, Q., Li, L., Li, Y., Gao, Z., Chen, Z., & Lu, J. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp307124d · Cited by 342
Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides
Bhattacharyya, S., & Singh, A. K. (2012) · Physical Review B · doi:10.1103/physrevb.86.075454 · Cited by 333
Energy-gap modulation of BN ribbons by transverse electric fields: First-principles calculations
Zhang, Z., & Guo, W. (2008) · Physical Review B · doi:10.1103/physrevb.77.075403 · Cited by 303
Guo, H., Lu, N., Wang, L., Wu, X., & Zeng, X. C. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp501734s · Cited by 254
Self-citationSynthesis and some properties of black phosphorus single crystals
Maruyama, Y., Suzuki, S., Kobayashi, K., & Tanuma, S. (1981) · Physica B+C · doi:10.1016/0378-4363(81)90223-0 · Cited by 239
Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study
Guo, H., Zhao, Y., Lu, N., Kan, E., Zeng, X. C., Wu, X., & Yang, J. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp2125069 · Cited by 209
Self-citationKou, L., Frauenheim, T., & Chen, C. (2013) · The Journal of Physical Chemistry Letters · doi:10.1021/jz400668d · Cited by 173
Reply to 'Measurement of mobility in dual-gated MoS2 transistors'
Radisavljevic, B., & Kis, A. (2013) · Nature Nanotechnology · doi:10.1038/nnano.2013.31 · Cited by 109
Few-layer black phosphorus: emerging direct band gap semiconductor with high carrier mobilityPreprint
Qiao, J., Kong, X., Hu, Z., et al. (2014) · arXiv (Cornell University) · Cited by 19
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Phosphorene: from theory to applications
Carvalho, A., Wang, M., Zhu, X., Rodin, A. S., Su, H., & Castro Neto, A. H. (2016) · Nature Reviews Materials · doi:10.1038/natrevmats.2016.61 · Cited by 1,159
Recent progress in 2D group-VA semiconductors: from theory to experiment
Zhang, S., Guo, S., Chen, Z., Wang, Y., Gao, H., Gómez-Herrero, J., Ares, P., Zamora, F., Zhu, Z., & Zeng, H. (2018) · Chemical Society Reviews · doi:10.1039/c7cs00125h · Cited by 850
2D phosphorene as a water splitting photocatalyst: fundamentals to applications
Rahman, M. Z., Kwong, C. W., Davey, K., & Qiao, S. Z. (2016) · Energy & Environmental Science · doi:10.1039/c5ee03732h · Cited by 623
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
Phosphorene and Phosphorene‐Based Materials – Prospects for Future Applications
Batmunkh, M., Bat‐Erdene, M., & Shapter, J. G. (2016) · Advanced Materials · doi:10.1002/adma.201602254 · Cited by 494
Metadata
- Authors
- Guo, H., Lu, N., Dai, J., Wu, X., & Zeng, X. C.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-06-17
- Volume
- 118
- Issue
- 25
- Pages
- 14051-14059
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W1490626802
- Cited by
- 615
- References
- 49
- FWCI
- 37.52
- Type
- journal article
- Language
- en
- Open access
- green
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