Probing Cation and Vacancy Ordering in the Dry and Hydrated Yttrium-Substituted BaSnO Perovskite by NMR Spectroscopy and First Principles Calculations: Implications for Proton Mobility.

Hydrated BaSn1-xYO-x/2 is a protonic conductor that, unlike many other related perovskites, shows high conductivity even at high substitution levels. A joint multinuclear NMR spectroscopy and density functional theory (total energy and GIPAW NMR calculations) investigation of BaSn1-xYO-x/2 (0.10 = x...

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Publicado en:	Journal of the American Chemical Society Vol. 134; no. 35; pp. 14483 - 14499
Autores principales:	Lucienne Buannic, Blanc, Frédéric, Middlemiss, Derek S., Grey, Clare P.
Formato:	Artículo
Publicado:	American Chemical Society 9/5/2012
Materias:	Yttrium Substituents (Chemistry) Perovskite Nuclear magnetic resonance spectroscopy Proton mobility Cations Density functionals Oxygen
Acceso en línea:	Ver este registro en EBSCOhost