Concepedia

Hydration, oxidation, and reduction of GdBaCo<sub>2</sub>O<sub>5.5</sub>from first-principles

E Coulaud, Guilhem Dezanneau, Grégory Geneste

Journal of Materials Chemistry A · 2015 · 20 citations · 41 references

DOI

Concepts

Abstract

Structural, magnetic and chemical properties of GdBaCo<sub>2</sub>O<sub>5.5</sub>regarding hydration, oxidation and reduction are studied by density-functional calculations in the DFT +<italic>U</italic>formalism.

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