Formation and migration of oxygen vacancies in La1−xSrxCo1−yFeyO3−δperovskites: insight from ab initio calculations and comparison with Ba1−xSrxCo1−yFeyO3−δ

Detailed insights into the structural properties and oxygen-pathways in orthorhombic Ba0.5Sr0.5Co0.8Fe0.2O3–δ by electronic-structure theory

(2012) Marck Lumeij et al.   SOLID STATE IONICS

Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations

(2011) Alexander Chroneos et al.   Energy & Environmental Science

Enhanced one dimensional mobility of oxygen on strained LaCoO3(001) surface

(2011) Jeong Woo Han et al.   JOURNAL OF MATERIALS CHEMISTRY

Structural Stability and Catalytic Activity of Lanthanum-Based Perovskites

(2011) Lucia M. Petkovic et al.   Journal of Physical Chemistry C

Stabilization Mechanisms of LaFeO3 (010) Surfaces Determined with First Principles Calculations

(2011) Chan-Woo Lee et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

First Principles Calculations of Oxygen Vacancy Formation and Migration in Ba1−xSrxCo1−yFeyO3−δPerovskites

(2011) Rotraut Merkle et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

First-principles modelling of complex perovskite (Ba1-xSrx)(Co1-yFey)O3-δ for solid oxide fuel cell and gas separation membrane applications

(2010) Yuri A. Mastrikov et al.   Energy & Environmental Science

First-principles electronic-structure calculations on the stability and oxygen conductivity in Ba0.5Sr0.5Co0.8Fe0.2O3−δ

(2010) Claudia Wessel et al.   JOURNAL OF MEMBRANE SCIENCE

Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ

(2010) Yuri A. Mastrikov et al.   Journal of Physical Chemistry C

Surface Kinetics and Mechanism of Oxygen Incorporation Into Ba[sub 1−x]Sr[sub x]Co[sub y]Fe[sub 1−y]O[sub 3−δ] SOFC Microelectrodes

(2010) Lei Wang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A kinetic study of the decomposition of the cubic perovskite-type oxide BaxSr1−xCo0.8Fe0.2O3−δ (BSCF) (x = 0.1 and 0.5)

(2010) David N. Mueller et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding oxygen vacancy migration and clustering in barium strontiumcobalt iron oxide

(2010) Shruba Gangopadhyay et al.   SOLID STATE IONICS

Oxygen tracer diffusion and surface exchange kinetics in La0.6Sr0.4CoO3−δ

(2010) A.V. Berenov et al.   SOLID STATE IONICS

First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba0.5Sr0.5Co1−yFeyO3−δ perovskites

(2010) E.A. Kotomin et al.   SOLID STATE IONICS

DFT investigation on SmCoO3-based mixed ionic-electronic conductor

(2010) Pei Jun Shen et al.   SOLID STATE SCIENCES

Oxygen tracer diffusion in dense Ba0.5Sr0.5Co0.8Fe0.2O3−δ films

(2009) L. Wang et al.   APPLIED PHYSICS LETTERS

Materials for Solid Oxide Fuel Cells†

(2009) Allan J. Jacobson   CHEMISTRY OF MATERIALS

Rational design of novel cathode materials in solid oxide fuel cells using first-principles simulations

(2009) YongMan Choi et al.   JOURNAL OF POWER SOURCES

An atomistic simulation study of oxygen-vacancy migration in perovskite electrolytes based on LaGaO3

(2009) Roger A. De Souza et al.   MONATSHEFTE FUR CHEMIE

Ab initioenergetics ofLaBO3(001)(B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

(2009) Yueh-Lin Lee et al.   PHYSICAL REVIEW B

Mixed ionic–electronic conducting (MIEC) ceramic-based membranes for oxygen separation

(2008) J. Sunarso et al.   JOURNAL OF MEMBRANE SCIENCE

Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics

(2008) Eugene A. Kotomin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural instability of cubic perovskite BaxSr1−xCo1−yFeyO3−δ

(2008) S SVARCOVA   SOLID STATE IONICS