Application of Density Functional Theory to the Modeling of the Mixed Ionic and Electronic Conductor La2NiO4+δ: Lattice Relaxation, Oxygen Mobility, and Energetics of Frenkel Defects
Author:
Affiliation:
1. Institut de Chimie de la Matière Condensée de Bordeaux, CNRS, 87, Avenue du Dr. Albert Schweitzer, 33608 Pessac Cedex, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/cm050195f
Reference45 articles.
1. Oxygen ion transport in La2NiO4‐based ceramics
2. Oxygen diffusion and surface exchange in La2−xSrxNiO4+δ
3. Ionic transport in oxygen-hyperstoichiometric phases with K2NiF4-type structure
4. Boehm, E.A2MO4+δnickelates, new cathode materials forintermediate temperature Solid Oxide Fuel Cells. Ph.D. Thesis, University of Sciences and Technologies, Bordeaux, 2002.
5. Oxygen transport properties of La2Ni1−xCuxO4+δ mixed conducting oxides
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