First Principle Calculations of Transition Metal Oxide, AgAlO2, as Active Photocatalyst: Sustainable Alternative Sources of Energy

Electronic structure, optical properties and electronic charge density of transition metal oxide, AgAlO2 as active photocatalyst are calculated using full potential linearize augmented plane wave (FP-LAPW) method within LDA, GGA, EVGGA and mBJ. The band gap is found to be indirect. Band gap value ob...

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Bibliografische Detailangaben

1. Verfasser:	A.H. Reshak
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Elsevier 2013-07-01
Schriftenreihe:	International Journal of Electrochemical Science
Schlagworte:	photocatalyst AgAlO2 UV irradiation DFT mBJ
Online-Zugang:	http://www.sciencedirect.com/science/article/pii/S1452398123129762
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