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Electronic Properties of Phosphorene/Graphene and Phosphorene/Hexagonal Boron Nitride Heterostructures
Open accessAbstract
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigate the structural and electronic properties of two heterostructures, graphene/phosphorene (G/BP) and hexagonal boron nitride/phosphorene (BN/BP). We found that the interlayer distance, binding energy, and charge transfer in G/BP and BN/BP are similar. Interlayer noncovalent bonding is predicted due to the weak coupling between the p z orbital of BP and the π orbital of graphene and BN. A small amount of electron transfer from graphene and BN, scaling with the vertical strain, renders BP slightly n-doped for both heterostructures. Several attractive characteristics of BP, including direct band gap and linear dichroism, are preserved. However, a large redistribution of electrostatic potential across the interface is observed, which may significantly renormalize the carrier dynamics and affect the excitonic behavior of BP. Our work suggests that graphene and BN can be used not only as an effective capping layer to protect BP from its structural and chemical degradation while still maintaining its major electronic characteristics but also as an active layer to tune the carrier dynamics and optical properties of BP.
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Cites
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
Density-functional exchange-energy approximation with correct asymptotic behavior
Becke, A. D. (1988) · Physical Review A · doi:10.1103/physreva.38.3098 · Cited by 53,711
Van der Waals heterostructures
Geim, A. K., & Grigorieva, I. V. (2013) · Nature · doi:10.1038/nature12385 · Cited by 10,875
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
Self-citationPhosphorene: 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
Van der Waals Density Functional for General Geometries
Dion, M., Rydberg, H., Schröder, E., Langreth, D. C., & Lundqvist, B. I. (2004) · Physical Review Letters · doi:10.1103/physrevlett.92.246401 · Cited by 5,622
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
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
Georgiou, T., Jalil, R., Belle, B. D., Britnell, L., Gorbachev, R. V., Morozov, S. V., Kim, Y.-J., Gholinia, A., Haigh, S. J., Makarovsky, O., et al. (2013) · Nature Nanotechnology · doi:10.1038/nnano.2012.224 · Cited by 1,751
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
Effective Passivation of Exfoliated Black Phosphorus Transistors against Ambient Degradation
Wood, J. D., Wells, S. A., Jariwala, D., Chen, K.-S., Cho, E., Sangwan, V. K., Liu, X., Lauhon, L. J., Marks, T. J., & Hersam, M. C. (2014) · Nano Letters · doi:10.1021/nl5032293 · Cited by 1,491
Semiconducting black phosphorus: synthesis, transport properties and electronic applications
Liu, H., Du, Y., Deng, Y., & Ye, P. D. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00257a · Cited by 1,473
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
Black Phosphorus–Monolayer MoS2 van der Waals Heterojunction p–n Diode
Deng, Y., Luo, Z., Conrad, N. J., Liu, H., Gong, Y., Najmaei, S., Ajayan, P. M., Lou, J., Xu, X., & Ye, P. D. (2014) · ACS Nano · doi:10.1021/nn5027388 · Cited by 1,246
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
Semiconducting Layered Blue Phosphorus: A Computational Study
Zhu, Z., & Tománek, D. (2014) · Physical Review Letters · doi:10.1103/physrevlett.112.176802 · Cited by 1,195
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
Yu, W. J., Liu, Y., Zhou, H., Yin, A., Li, Z., Huang, Y., & Duan, X. (2013) · Nature Nanotechnology · doi:10.1038/nnano.2013.219 · Cited by 1,169
van der Waals Epitaxy of MoS2 Layers Using Graphene As Growth Templates
Shi, Y., Zhou, W., Lu, A.-Y., Fang, W., Lee, Y.-H., Hsu, A. L., Kim, S. M., Kim, K. K., Yang, H. Y., Li, L.-J., et al. (2012) · Nano Letters · doi:10.1021/nl204562j · Cited by 979
Polarity-Reversed Robust Carrier Mobility in Monolayer MoS2 Nanoribbons
Cai, Y., Zhang, G., & Zhang, Y.-W. (2014) · Journal of the American Chemical Society · doi:10.1021/ja4109787 · Cited by 959
Self-citationPeng, X., Wei, Q., & Copple, A. (2014) · Physical Review B · doi:10.1103/physrevb.90.085402 · Cited by 958
Environmental instability of few-layer black phosphorus
Island, J. O., Steele, G. A., Zant, H. S. J. V. D., & Castellanos-Gomez, A. (2015) · 2D Materials · doi:10.1088/2053-1583/2/1/011002 · Cited by 954
Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene
Cai, Y., Zhang, G., & Zhang, Y.-W. (2014) · Scientific Reports · doi:10.1038/srep06677 · Cited by 894
Self-citationDai, J., & Zeng, X. C. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz500409m · Cited by 875
High‐Quality Black Phosphorus Atomic Layers by Liquid‐Phase Exfoliation
Yasaei, P., Kumar, B., Foroozan, T., Wang, C., Asadi, M., Tuschel, D., Indacochea, J. E., Klie, R. F., & Salehi‐Khojin, A. (2015) · Advanced Materials · doi:10.1002/adma.201405150 · Cited by 829
Photovoltaic effect in few-layer black phosphorus PN junctions defined by local electrostatic gating
Buscema, M., Groenendijk, D. J., Steele, G. A., van der Zant, H. S. J., & Castellanos-Gomez, A. (2014) · Nature Communications · doi:10.1038/ncomms5651 · Cited by 756
Zhang, S., Yang, J., Xu, R., Wang, F., Li, W., Ghufran, M., Zhang, Y.-W., Yu, Z., Zhang, G., Qin, Q., et al. (2014) · ACS Nano · doi:10.1021/nn503893j · Cited by 688
Self-citationPlasma-assisted fabrication of monolayer phosphorene and its Raman characterization
Lu, W., Nan, H., Hong, J., Chen, Y., Zhu, C., Liang, Z., Ma, X., Ni, Z., Jin, C., & Zhang, Z. (2014) · Nano Research · doi:10.1007/s12274-014-0446-7 · Cited by 665
Ma, C., Rangasamy, E., Liang, C., Sakamoto, J., More, K. L., & Chi, M. (2015) · Angewandte Chemie International Edition · doi:10.1002/anie.201410930 · Cited by 632
Padilha, J. E., Fazzio, A., & da Silva, A. J. R. (2015) · Physical Review Letters · doi:10.1103/physrevlett.114.066803 · Cited by 519
Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene
Cai, Y., Ke, Q., Zhang, G., & Zhang, Y.-W. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp510863p · Cited by 408
Self-citationTwo-dimensional heterostructures: fabrication, characterization, and application
Wang, H., Liu, F., Fu, W., Fang, Z., Zhou, W., & Liu, Z. (2014) · Nanoscale · doi:10.1039/c4nr03435j · Cited by 403
Ambipolar Phosphorene Field Effect Transistor
Das, S., Demarteau, M., & Roelofs, A. (2014) · ACS Nano · doi:10.1021/nn505868h · Cited by 398
Wu, J., Mao, N., Xie, L., Xu, H., & Zhang, J. (2015) · Angewandte Chemie International Edition · doi:10.1002/anie.201410108 · Cited by 385
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
Access and in situ growth of phosphorene-precursor black phosphorus
Köpf, M., Eckstein, N., Pfister, D., Grotz, C., Krüger, I., Greiwe, M., Hansen, T., Kohlmann, H., & Nilges, T. (2014) · Journal of Crystal Growth · doi:10.1016/j.jcrysgro.2014.07.029 · Cited by 371
Tuning of the electronic and optical properties of single-layer black phosphorus by strain
Çakır, D., Sahin, H., & Peeters, F. M. (2014) · Physical Review B · doi:10.1103/physrevb.90.205421 · Cited by 342
Polarized photocurrent response in black phosphorus field-effect transistors
Hong, T., Chamlagain, B., Lin, W., Chuang, H.-J., Pan, M., Zhou, Z., & Xu, Y.-Q. (2014) · Nanoscale · doi:10.1039/c4nr02164a · Cited by 342
Few-Layer Black Phosphorus Field-Effect Transistors with Reduced Current Fluctuation
Na, J., Lee, Y. T., Lim, J. A., Hwang, D. K., Kim, G.-T., Choi, W. K., & Song, Y.-W. (2014) · ACS Nano · doi:10.1021/nn5052376 · Cited by 290
Stable semiconductor black phosphorus (BP)@titanium dioxide (TiO2) hybrid photocatalysts
Uk Lee, H., Lee, S. C., Won, J., Son, B.-C., Choi, S., Kim, Y., Park, S. Y., Kim, H.-S., Lee, Y.-C., & Lee, J. (2015) · Scientific Reports · doi:10.1038/srep08691 · Cited by 278
Strong Thermal Transport Anisotropy and Strain Modulation in Single-Layer Phosphorene
Ong, Z.-Y., Cai, Y., Zhang, G., & Zhang, Y.-W. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp5079357 · Cited by 265
Self-citationTransition Metal Doped Phosphorene: First-Principles Study
Hashmi, A., & Hong, J. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp511574n · Cited by 253
Gillgren, N., Wickramaratne, D., Shi, Y., Espiritu, T., Yang, J., Hu, J., Wei, J., Liu, X., Mao, Z., Watanabe, K., et al. (2014) · 2D Materials · doi:10.1088/2053-1583/2/1/011001 · Cited by 247
In Situ Thermal Decomposition of Exfoliated Two-Dimensional Black Phosphorus
Liu, X., Wood, J. D., Chen, K.-S., Cho, E., & Hersam, M. C. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b00043 · Cited by 238
Cai, Y., Ke, Q., Zhang, G., Feng, Y. P., Shenoy, V. B., & Zhang, Y. (2015) · Advanced Functional Materials · doi:10.1002/adfm.201404294 · Cited by 233
Self-citationFirst-Principles Study of Metal Adatom Adsorption on Black Phosphorene
Hu, T., & Hong, J. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b01300 · Cited by 230
Improved description of soft layered materials with van der Waals density functional theory
Graziano, G., Klimeš, J., Fernandez-Alonso, F., & Michaelides, A. (2012) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/24/42/424216 · Cited by 227
Interlayer interactions in graphites
Chen, X., Tian, F., Persson, C., et al. (2013) · Scientific Reports · doi:10.1038/srep03046 · Cited by 217
Origin of photoresponse in black phosphorus phototransistors
Low, T., Engel, M., Steiner, M., & Avouris, P. (2014) · Physical Review B · doi:10.1103/physrevb.90.081408 · Cited by 215
Yuan, J., Najmaei, S., Zhang, Z., Zhang, J., Lei, S., Ajayan, P. M., Yakobson, B. I., & Lou, J. (2015) · ACS Nano · doi:10.1021/nn505809d · Cited by 210
Preparation of MoS2–MoO3 Hybrid Nanomaterials for Light‐Emitting Diodes
Yin, Z., Zhang, X., Cai, Y., Chen, J., Wong, J. I., Tay, Y., Chai, J., Wu, J., Zeng, Z., Zheng, B., et al. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201402935 · Cited by 195
Self-citationTitelbild: Umkodierung des genetischen Codes mit Selenocystein (Angew. Chem. 1/2014)
Bröcker, M. J., Ho, J. M. L., Church, G. M., Söll, D., & O'Donoghue, P. (2014) · Angewandte Chemie · doi:10.1002/ange.201310509 · Cited by 183
Electronic Structure of Twisted Bilayers of Graphene/MoS2 and MoS2/MoS2
Wang, Z., Chen, Q., & Wang, J. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp507751p · Cited by 169
A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene
Zhang, R., Li, B., & Yang, J. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp5116564 · Cited by 167
Tuning the Electronic and Magnetic Properties of Phosphorene by Vacancies and Adatoms
Srivastava, P., Hembram, K. P. S. S., Mizuseki, H., Lee, K., Han, S. S., & Kim, S. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp5110938 · Cited by 153
Black phosphorus nanoelectromechanical resonators vibrating at very high frequencies
Wang, Z., Jia, H., Zheng, X., Yang, R., Wang, Z., Ye, G. J., Chen, X. H., Shan, J., & Feng, P. X.-L. (2014) · Nanoscale · doi:10.1039/c4nr04829f · Cited by 148
Low Schottky Barrier Black Phosphorus Field‐Effect Devices with Ferromagnetic Tunnel Contacts
Kamalakar, M. V., Madhushankar, B. N., Dankert, A., & Dash, S. P. (2015) · Small · doi:10.1002/smll.201402900 · Cited by 136
Band structure engineering of monolayer MoS2 on h-BN: first-principles calculations
Huang, Z., He, C., Qi, X., Yang, H., Liu, W., Wei, X., Peng, X., & Zhong, J. (2014) · Journal of Physics D Applied Physics · doi:10.1088/0022-3727/47/7/075301 · Cited by 116
Zhang, X., Xie, H., Liu, Z., et al. (2015) · Angewandte Chemie · doi:10.1002/ange.201409400 · Cited by 101
Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite
Hu, W., Li, Z., & Yang, J. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4824887 · Cited by 99
Surfactant-modified chemically reduced graphene oxide for electrochemical supercapacitors
Ke, Q., Liu, Y., Liu, H., Zhang, Y., Hu, Y., & Wang, J. (2014) · RSC Advances · doi:10.1039/c4ra03826f · Cited by 82
Self-citationBerdiyorov, G. R., Neek-Amal, M., Peeters, F. M., et al. (2014) · Physical Review B · doi:10.1103/physrevb.89.024107 · Cited by 57
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Metadata
- Authors
- Cai, Y., Zhang, G., & Zhang, Y.-W.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-06-04
- Volume
- 119
- Issue
- 24
- Pages
- 13929-13936
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W1588887024
- Cited by
- 354
- References
- 65
- FWCI
- 15.99
- Type
- journal article
- Language
- en
- Open access
- green
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