Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver–Copper Oxide AgCuO2

The electronic structure of AgCuO2, and more specifically the possible charge delocalization and its implications for the transport properties, has been the object of debate. Here the problem is faced by means of first-principles density functional theory calculations of the electron and phonon band...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Inorganic chemistry 2019-05, Vol.58 (10), p.7026-7035
Hauptverfasser:	Carreras, Abel, Conejeros, Sergio, Camón, Agustín, García, Alberto, Casañ-Pastor, Nieves, Alemany, Pere, Canadell, Enric
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!