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Electronic structures and optical properties for Ag-N-codoped ZnO nanotubes

Xian-Yang Feng, Chang-Wen Zhang, Xi-Jin Xu and Pei-Ji Wang*

Author Affiliations

School of Physics and Technology, University of Jinan, Jinan 250022, People's Republic of China

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Nanoscale Research Letters 2013, 8:365  doi:10.1186/1556-276X-8-365

Published: 27 August 2013


The structural and electronic/optical properties of pure and Ag-N-codoped (8,0) ZnO nanotubes have been studied using first-principles calculations in the framework of the local spin density approximation. The configurations for Zn atoms replaced by Ag atoms are p-type semiconductor materials, and the bandgap increases when N atoms are doped into ZnO nanotube configurations. The optical studies based on dielectric function and reflectivity indicate that new transition peaks in the visible light range are observed, which can be ascribed to the Ag and N doping. Furthermore, there is a red shift observed with the increase of N concentration.

Ag-N codoped; ZnO nanotube; Electronic structure; Optical property