First-principles calculation on electronic properties of zinc oxide by zinc 13air system

• Main Authors: Mohamad, Ahmad Azmin, Hassan, Muhammad Syafiq, Yaakob, Muhamad Kamil, Mohamad Taib, Mohamad Fariz, Badrudin, Fadhlul Wafi, Hassan, Oskar Hasdinor, Yahya, Muhd Zu Azhan
• Format: Article
• Published: Elsevier 2017
• Subjects: TN1-997 Mining engineering. Metallurgy
• Online Access: http://eprints.usm.my/36965/; https://doi.org/10.1016/j.jksues.2015.08.002

First-principles calculations are performed to study the electronic properties of zinc oxide (ZnO) formed on an anode after discharging a Zn 13air system. Prior to calculation, the ZnO is characterised by X-ray diffraction using Rietveld refinement. Diffracted patterns proved the formation of sin...