Is ReO3 a mixed ionic-electronic conductor? A DFT study of defect formation and migration in a BVIO3 perovskite-type oxideElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp08214b

Density-functional-theory (DFT) calculations within the generalised gradient approximation (GGA) were used to examine the behaviour of point defects in the cubic B VI O 3 perovskite-type oxide, ReO 3 . Energies of reduction and of hydration were calculated, and the results are compared with literatu...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Parras, J. P, Genreith-Schriever, A. R, Zhang, H, Elm, M. T, Norby, T, De Souza, R. A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!