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Electronic and Interfacial Structure Study of Monolayer ReS2−Metal Contacts

Abstract

In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the top-contact formed by the monolayer ReS2 (mReS2) 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 mReS2-metal interface in consideration of van der Waals forces to understand how efficiently carriers could be injected from metal contact to the mReS2 channel. ReS2 is physisorbed on Au and Ag, which leads little perturbation of its electronic structures and forms a larger Schottky contact and a higher tunnel barrier at the interface. ReS2 is chemisorbed on Ti and Sc, where the bonding strongly perturbs the electronic structures and are found to be purely Ohmic. The bonding of ReS2 on Pt and Ni lies between these two extreme cases, demonstrating an intermediate behavior. These findings not only provide an insight into the mReS2-metal interfaces but also may prove to be instrumental in the future design of ReS2-based devices with good performance.

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Publication details

The article was received on 08 Aug 2017, accepted on 14 Sep 2017 and first published on 14 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP05386J
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Electronic and Interfacial Structure Study of Monolayer ReS2−Metal Contacts

    J. Wang, G. F. Yang, R. Sun, P. Yan, Y. Lu, J. Xue and G. Chen, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP05386J

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