Oxide ion transport in Sr2Fe1.5Mo0.5O6−δ, a mixed ion-electron conductor: new insights from first principles modeling

From T to T′-La2CuO4 via Oxygen Vacancy Ordered La2CuO3.5

(2012) Mohamed Ikbel Houchati et al.   CHEMISTRY OF MATERIALS

Unveiling Structure–Property Relationships in Sr2Fe1.5Mo0.5O6−δ, an Electrode Material for Symmetric Solid Oxide Fuel Cells

(2012) Ana B. Muñoz-García et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Antisite Defects on the Formation of Oxygen Vacancies in Sr2FeMoO6: Implications for Ion and Electron Transport

(2011) Ana B. Muñoz-García et al.   CHEMISTRY OF MATERIALS

Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials

(2011) Michele Pavone et al.   Energy & Environmental Science

Sr2Fe1.5Mo0.5O6−δ as a regenerative anode for solid oxide fuel cells

(2011) Qiang Liu et al.   JOURNAL OF POWER SOURCES

Sr2Fe1.5Mo0.5O6 as Cathodes for Intermediate-Temperature Solid Oxide Fuel Cells with La0.8Sr0.2Ga0.87Mg0.13O3 Electrolyte

(2011) Guoliang Xiao et al.   JOURNAL OF THE ELECTROCHEMICAL 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

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

(2011) J. Suntivich et al.   SCIENCE

Lowering the Temperature of Solid Oxide Fuel Cells

(2011) E. D. Wachsman et al.   SCIENCE

A Novel Electrode Material for Symmetrical SOFCs

(2010) Qiang Liu et al.   ADVANCED MATERIALS

Engineering of materials for solid oxide fuel cells and other energy and environmental applications

(2010) Juan Carlos Ruiz-Morales et al.   Energy & Environmental Science

On the Stability of Sr-Doped La2CuO4 Against Different Electrolytes for IT-SOFCs

(2010) R. Ruiz-Bustos et al.   Fuel Cells

High performance cobalt-free perovskite cathode for intermediate temperature solid oxide fuel cells

(2010) Yingjie Niu et al.   JOURNAL OF MATERIALS CHEMISTRY

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

Interstitialcy diffusion of oxygen in tetragonal La2CoO4+δ

(2010) Akihiro Kushima et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

New Chemical Systems for Solid Oxide Fuel Cells†

(2009) A. Orera et al.   CHEMISTRY OF MATERIALS

Materials for Solid Oxide Fuel Cells†

(2009) Allan J. Jacobson   CHEMISTRY OF MATERIALS

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

B-Site cation diffusivity of Mn and Cr in perovskite-type LaMnO3 with cation-deficit nonstoichiometry

(2009) Shogo Miyoshi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Erratum: First-principles characterization of Ni diffusion kinetics inβ−NiAl[Phys. Rev. B78, 184105 (2008)]

(2009) Kristen A. Marino et al.   PHYSICAL REVIEW B

Enhanced Sulfur and Coking Tolerance of a Mixed Ion Conductor for SOFCs: BaZr0.1Ce0.7Y0.2-xYbxO3- 

(2009) L. Yang et al.   SCIENCE

Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations

(2008) Nicholas J. Mosey et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic-Scale Insight into LaFeO3Perovskite:  Defect Nanoclusters and Ion Migration

(2008) Alison Jones et al.   Journal of Physical Chemistry C

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

First-principles characterization of Ni diffusion kinetics inβ-NiAl

(2008) Kristen A. Marino et al.   PHYSICAL REVIEW B

First-Principles Calculation of Self-Diffusion Coefficients

(2008) M. Mantina et al.   PHYSICAL REVIEW LETTERS

Challenges in Modeling Materials Properties Without Experimental Input

(2008) E. A. Carter   SCIENCE

Advances in Correlated Electronic Structure Methods for Solids, Surfaces, and Nanostructures

(2007) Patrick Huang et al.   Annual Review of Physical Chemistry