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A study on the electronic and interfacial structures of monolayer ReS 2 -metal contacts.
- Source :
-
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2017 Oct 11; Vol. 19 (39), pp. 27052-27058. - Publication Year :
- 2017
-
Abstract
- In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the top-contact formed by the monolayer ReS <subscript>2</subscript> (mReS <subscript>2</subscript> ) and metals (gold, silver, platinum, nickel, titanium, and scandium) by means of first-principles density functional theory calculations. We investigate the potential barrier, charge transfer and atomic orbital overlap at the mReS <subscript>2</subscript> -metal interface in consideration of van der Waals forces to understand how efficiently carriers could be injected from the metal contact to the mReS <subscript>2</subscript> channel. ReS <subscript>2</subscript> is physisorbed on Au and Ag, which leads to little perturbation of its electronic structures and forms a larger Schottky contact and a higher tunnel barrier at the interface. ReS <subscript>2</subscript> is chemisorbed on Ti and Sc, where the bonding strongly perturbs the electronic structures and is found to be purely Ohmic. The bonding of ReS <subscript>2</subscript> on Pt and Ni lies between these two extreme cases, demonstrating an intermediate behavior. These findings not only provide an insight into the mReS <subscript>2</subscript> -metal interfaces but may also prove to be instrumental in the future design of ReS <subscript>2</subscript> -based devices with good performance.
Details
- Language :
- English
- ISSN :
- 1463-9084
- Volume :
- 19
- Issue :
- 39
- Database :
- MEDLINE
- Journal :
- Physical chemistry chemical physics : PCCP
- Publication Type :
- Academic Journal
- Accession number :
- 28959803
- Full Text :
- https://doi.org/10.1039/c7cp05386j