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Materials 2017, 10(7), 703; https://doi.org/10.3390/ma10070703

Comparative Study on ZnO Monolayer Doped with Al, Ga and In Atoms as Transparent Electrodes

1
College of Applied Science, Harbin University of Science and Technology, Harbin 150080, China
2
School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China
*
Author to whom correspondence should be addressed.
Received: 12 May 2017 / Revised: 21 June 2017 / Accepted: 22 June 2017 / Published: 26 June 2017
(This article belongs to the Special Issue Advances in Transparent Conducting Materials)
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Abstract

Transparent anodes are indispensable components for optoelectronic devices. Two-dimensional (2D) materials are attracting increasing research interest due to their unique properties and promising applications. In order to design novel transparent anodes, we investigated the electronic, optical, and electrical properties of 2D ZnO monolayers doped with Al, Ga, and In using the first-principles calculation in combination with the Boltzmann transport theory. When the doping concentration of Al, Ga, and In is less than 12.5 wt %, we find that the average transmittance reaches up to 99% in the visible and UV regions. Moreover, the electrical conductivity is enhanced for the Al, Ga, and In doped systems compared to that of the pristine ZnO monolayer. In particular, a good electrical conductivity with a significant improvement for the In doped ZnO monolayer is achieved compared to Al and Ga doping at the 6.25 wt % level. These results suggest that the ZnO monolayer based materials, and in particular the In doped ZnO monolayer, are promising transparent anodes for nanoscale electronic and optoelectronic applications. View Full-Text
Keywords: ZnO monolayer; electronic structure; optical properties; transport proprieties; First-principle ZnO monolayer; electronic structure; optical properties; transport proprieties; First-principle
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Sun, D.; Tan, C.; Tian, X.; Huang, Y. Comparative Study on ZnO Monolayer Doped with Al, Ga and In Atoms as Transparent Electrodes. Materials 2017, 10, 703.

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