First-principles investigation on the structural, elastic and electronic properties and mechanism on the photocatalytic properties for SrNbO3 and Sr0.97NbO3
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DOI: 10.1016/j.jpcs.2017.08.030
Abstract: Abstract The structural, elastic and electronic properties of perfect SrNbO3 and defective Sr0.97NbO3 are investigated by employing the plane-wave pseudopotentials methods based on density functional theory (DFT). The photocatalytic activity is also discussed for both… read more here.
Keywords: structural elastic; srnbo3 sr0; sr0 97nbo3; electronic properties ... See more keywords