First-principles calculation on electronic properties of zinc oxide by zinc–air system

First-principles calculation on electronic properties of zinc oxide by zinc–air system

First-principles calculations are performed to study the electronic properties of zinc oxide (ZnO) formed on an anode after discharging a Zn–air system. Prior to calculation, the ZnO is characterised by X-ray diffraction using Rietveld refinement. Diffracted patterns proved the formation of single p...

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Bibliographic Details
Main Authors: Ahmad Azmin Mohamad, Muhammad Syafiq Hassan, Muhamad Kamil Yaakob, Mohamad Fariz Mohamad Taib, Fadhlul Wafi Badrudin, Oskar Hasdinor Hassan, Muhd Zu Azhan Yahya
Format: Article
Language:English
Published: Elsevier 2017-07-01
Series:Journal of King Saud University: Engineering Sciences
Subjects:
Zinc oxide
Rietveld refinement
First-principles calculation
Density functional theory
Online Access:http://www.sciencedirect.com/science/article/pii/S1018363915000215

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http://www.sciencedirect.com/science/article/pii/S1018363915000215

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