First-Principles Analysis of Cation Diffusion in Mixed Metal Ferrite Spinels

Ferrite spinels are metal oxides used in a wide variety of applications, many of which are controlled by the diffusion of metal cations through the metal oxide lattice. In this work, we used density functional theory (DFT) to examine the diffusion of Fe, Co, and Ni cations through the Fe3O4, CoFe2O4...

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Veröffentlicht in:	Chemistry of materials 2016-01, Vol.28 (1), p.214-226
Hauptverfasser:	Muhich, Christopher L, Aston, Victoria J, Trottier, Ryan M, Weimer, Alan W, Musgrave, Charles B
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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