PMID: 22587274May 17, 2012Paper

Designing electrical contacts to MoS2 monolayers: a computational study

Physical Review Letters
Igor PopovDavid Tománek

Abstract

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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Citations

Oct 24, 2013·Nature Communications·Hao QiuXinran Wang
Sep 10, 2014·The Journal of Chemical Physics·Wissam A Saidi
Feb 9, 2016·Nano Letters·Yifan NieKyeongjae Cho
Feb 4, 2016·Nano Letters·Ah Ra KimByungjin Cho
Dec 17, 2015·Scientific Reports·Zhi-Peng LingKah-Wee Ang
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Aug 5, 2016·ACS Applied Materials & Interfaces·Yu-Kai LinLi-Chyong Chen
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Apr 10, 2013·Scientific Reports·Marcio FontanaPaola Barbara
Jul 19, 2013·Scientific Reports·Jin-Wu JiangTimon Rabczuk
Nov 6, 2014·Scientific Reports·Weiyi WangFaxian Xiu
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