作者
Zhibin Gao, Zhixian Zhou, David Tomanek
发表日期
2019/5/1
期刊
ACS Nano
卷号
13
页码范围
5103-5111
出版商
https://pubs.acs.org/doi/abs/10.1021/acsnano.8b08190
简介
In search of an improved strategy to form low-resistance contacts to MoS2 and related semiconducting transition metal dichalcogenides, we use ab initio density functional electronic structure calculations in order to determine the equilibrium geometry and electronic structure of MoO3/MoS2 and MoO2/MoS2 bilayers. Our results indicate that, besides a rigid band shift associated with charge transfer, the presence of molybdenum oxide modifies the electronic structure of MoS2 very little. We find that the charge transfer in the bilayer provides a sufficient degree of hole doping to MoS2, resulting in a highly transparent contact region.
学术搜索中的文章
Z Gao, Z Zhou, D Tománek - ACS nano, 2019