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Designing Electrical Contacts toMoS2Monolayers: A Computational Study
Open accessAbstract
Studying the reason why single-layer molybdenum disulfide (MoS2) appears to fall short of its promising potential in flexible nanoelectronics, we find that the nature of contacts plays a more important role than the semiconductor itself. In order to understand the nature of MoS2/metal contacts, we perform ab initio density functional theory calculations for the geometry, bonding, and electronic structure of the contact region. We find that the most common contact metal (Au) is rather inefficient for electron injection into single-layer MoS2 and propose Ti as a representative example of suitable alternative electrode materials.
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Cites
Two-dimensional atomic crystals
Novoselov, K. S., Jiang, D., Schedin, F., Booth, T. J., Khotkevich, V. V., Morozov, S. V., & Geim, A. K. (2005) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0502848102 · Cited by 11,788
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Spin and pseudospins in layered transition metal dichalcogenides
Xu, X., Yao, W., Xiao, D., & Heinz, T. F. (2014) · Nature Physics · doi:10.1038/nphys2942 · Cited by 2,855
Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides
Jariwala, D., Sangwan, V. K., Lauhon, L. J., Marks, T. J., & Hersam, M. C. (2014) · ACS Nano · doi:10.1021/nn500064s · Cited by 2,753
Voiry, D., Fullon, R., Yang, J., de Carvalho Castro e Silva, C., Kappera, R., Bozkurt, I., Kaplan, D., Lagos, M. J., Batson, P. E., Gupta, G., et al. (2016) · Nature Materials · doi:10.1038/nmat4660 · Cited by 824
Electron-hole transport and photovoltaic effect in gated MoS2 Schottky junctions
Fontana, M., Deppe, T., Boyd, A. K., Rinzan, M., Liu, A. Y., Paranjape, M., & Barbara, P. (2013) · Scientific Reports · doi:10.1038/srep01634 · Cited by 517
Sulfur vacancies in monolayer MoS2 and its electrical contacts
Liu, D., Guo, Y., Fang, L., & Robertson, J. (2013) · Applied Physics Letters · doi:10.1063/1.4824893 · Cited by 417
Metadata
- Authors
- Popov, I., Seifert, G., & Tománek, D.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2012-04-11
- Volume
- 108
- Issue
- 15
- Pages
- 156802-156802
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1985700266
- Cited by
- 572
- References
- 1
- FWCI
- 22.01
- Type
- journal article
- Language
- en
- Open access
- green
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- Popov, I., Seifert, G., & Tománek, D. (2012). Designing Electrical Contacts toMoS2Monolayers: A Computational Study. Physical Review Letters. https://doi.org/10.1103/physrevlett.108.156802
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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