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A Computational Study on the Variation of Bandgap Due to Native Defects in Non-Stoichiometric NiO and Pd, Pt Doping in Stoichiometric NiO

This paper presents a computational study of non-stoichiometric nickel oxide in a 64-cell NiO system to model and validate localized heating effects due to nanosecond laser irradiation. Variation in the Bandgap of NiO is studied as a function of varying concentrations of native defects, ranging from...

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Hauptverfasser: Srikanth Itapu, Vamsi Borra, Faramarz Mossayebi
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI AG 2018-12-01
Schriftenreihe:Condensed Matter
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Online-Zugang:https://www.mdpi.com/2410-3896/3/4/46
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