Zirconium-peroxo embedded in non-stoichiometric yttria stabilized zirconia (110) from first-principles

Metal-peroxo species on oxides are recognized as important intermediates for catalytic reactions on oxides. In this work, surface structures of stoichiometric and non-stoichiometric yttria stabilized zirconia (YSZ) were investigated for the low index surfaces (111), (110), and (100) by using first p...

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Veröffentlicht in:	Solid state ionics 2016-02, Vol.285, p.215-221
Hauptverfasser:	Takemoto, Seiji, Tada, Tomofumi
Format:	Artikel
Sprache:	eng
Schlagworte:	Aluminum Chemical potential Cubic YSZ DFT Electronic structure First principles Mathematical analysis Non-stoichiometry Oxides Oxygen Peroxo Surface Titanium dioxide Yttria stabilized zirconia
Online-Zugang:	Volltext
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