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Materials 2017, 10(4), 359; doi:10.3390/ma10040359

Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study

1
School of Mechanical Engineering, Harbin University of Science and Technology, Harbin 150080, China
2
College of Applied Science, Harbin University of Science and Technology, Harbin 150080, China
3
School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China
*
Authors to whom correspondence should be addressed.
Academic Editor: Andrea Li Bassi
Received: 4 February 2017 / Revised: 16 March 2017 / Accepted: 25 March 2017 / Published: 29 March 2017
(This article belongs to the Special Issue Advances in Transparent Conducting Materials)
View Full-Text   |   Download PDF [2402 KB, uploaded 29 March 2017]   |  

Abstract

Al-doped ZnO has attracted much attention as a transparent electrode. The graphene-like ZnO monolayer as a two-dimensional nanostructure material shows exceptional properties compared to bulk ZnO. Here, through first-principle calculations, we found that the transparency in the visible light region of Al-doped ZnO monolayer is significantly enhanced compared to the bulk counterpart. In particular, the 12.5 at% Al-doped ZnO monolayer exhibits the highest visible transmittance of above 99%. Further, the electrical conductivity of the ZnO monolayer is enhanced as a result of Al doping, which also occurred in the bulk system. Our results suggest that Al-doped ZnO monolayer is a promising transparent conducting electrode for nanoscale optoelectronic device applications. View Full-Text
Keywords: ZnO monolayer; transparent electrode; electrical conductivity; optical property ZnO monolayer; transparent electrode; electrical conductivity; optical property
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Wu, M.; Sun, D.; Tan, C.; Tian, X.; Huang, Y. Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study. Materials 2017, 10, 359.

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