From oxide to proton conduction: A quantum-chemical perspective on the versatility of Sr2Fe1.5Mo0.5O6−δ-based materials

First-Principles Design of New Electrodes for Proton-Conducting Solid-Oxide Electrochemical Cells: A-Site Doped Sr2Fe1.5Mo0.5O6−δ Perovskite

(2016) Ana B. Muñoz-García et al.   CHEMISTRY OF MATERIALS

Redox activity of surface oxygen anions in oxygen-deficient perovskite oxides during electrochemical reactions

(2015) David N. Mueller et al.   Nature Communications

Proton trapping in Y and Sn Co-doped BaZrO3

(2015) James A. Dawson et al.   Journal of Materials Chemistry A

Oxygen Transport in Perovskite-Type Solid Oxide Fuel Cell Materials: Insights from Quantum Mechanics

(2014) Ana B. Muñoz-García et al.   ACCOUNTS OF CHEMICAL RESEARCH

Steam electrolysis by solid oxide electrolysis cells (SOECs) with proton-conducting oxides

(2014) Lei Bi et al.   CHEMICAL SOCIETY REVIEWS

Triple-Conducting Layered Perovskites as Cathode Materials for Proton-Conducting Solid Oxide Fuel Cells

(2014) Junyoung Kim et al.   ChemSusChem

Theoretical Investigation of H2 Oxidation on the Sr2Fe1.5Mo0.5O6 (001) Perovskite Surface under Anodic Solid Oxide Fuel Cell Conditions

(2014) Suwit Suthirakun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton migration in bulk orthorhombic barium cerate using density functional theory

(2014) Yong-Chan Jeong et al.   SOLID STATE IONICS

Ab Initio DFT+U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-δ (x = 0, 0.25, 0.50)

(2013) Andrew M. Ritzmann et al.   CHEMISTRY OF MATERIALS

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

(2013) Ana B. Muñoz-García et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells

(2013) M. M. Kuklja et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

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

Prediction of solid oxide fuel cell cathode activity with first-principles descriptors

(2011) Yueh-Lin Lee et al.   Energy & Environmental Science

A Novel Electrode Material for Symmetrical SOFCs

(2010) Qiang Liu et al.   ADVANCED MATERIALS

Oxide-ion and proton conducting electrolyte materials for clean energy applications: structural and mechanistic features

(2010) Lorenzo Malavasi et al.   CHEMICAL SOCIETY REVIEWS