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First Principles Calculation of Electronic Structure of Doped Monolayer MoS<sub>2</sub>

Based on the first principle, the bond length, band structures and density of states of Cu, Ag and Au doped monolayer MoS<sub>2</sub> were studied. The effects of Cu, Ag and Au doped on the monolayer MoS<sub>2</sub> electronic structure were discussed. The results show that the impurity energy of Cu...

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Main Author: FU Chun-ping
Format: Artigo
Language:Chinês
Published: Journal of Materials Engineering 2016-12-01
Series:Cailiao gongcheng
Subjects:
MoS<sub>2</sub>
band structure
density of states
doped
first principle
Online Access:http://jme.biam.ac.cn/CN/10.11868/j.issn.1001-4381.2016.12.013
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