Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells

Large scale in silico screening of materials for carbon capture through chemical looping

(2017) Cindy Y. Lau et al.   Energy & Environmental Science

Zr and Y co-doped perovskite as a stable, high performance cathode for solid oxide fuel cells operating below 500 °C

(2017) Chuancheng Duan et al.   Energy & Environmental Science

A niobium and tantalum co-doped perovskite cathode for solid oxide fuel cells operating below 500 °C

(2017) Mengran Li et al.   Nature Communications

Tin doped PrBaFe2O5+δ anode material for solid oxide fuel cells

(2017) Guohui Dong et al.   RSC Advances

Grain-size dependence of the deterioration of oxygen transport for pure and 3 mol% Zr-doped Ba0.5Sr0.5Co0.8Fe0.2O3−δ induced by thermal annealing

(2017) Saim Saher et al.   Journal of Materials Chemistry A

Understanding and Controlling the Work Function of Perovskite Oxides Using Density Functional Theory

(2016) Ryan Jacobs et al.   ADVANCED FUNCTIONAL MATERIALS

High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications

(2016) Antoine A. Emery et al.   CHEMISTRY OF MATERIALS

Oxygen Storage Properties of La1–xSrxFeO3−δ for Chemical-Looping Reactions—An In Situ Neutron and Synchrotron X-ray Study

(2016) Daniel D. Taylor et al.   CHEMISTRY OF MATERIALS

High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

(2016) Pinku Nath et al.   COMPUTATIONAL MATERIALS SCIENCE

The impact of grain size, A/B-cation ratio, and Y-doping on secondary phase formation in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3−δ

(2016) Matthias Meffert et al.   JOURNAL OF MATERIALS SCIENCE

Redox Kinetics Study of Fuel Reduced Ceria for Chemical-Looping Water Splitting

(2016) Zhenlong Zhao et al.   Journal of Physical Chemistry C

Unraveling Crystal Structure and Transport Properties of Fast Ion Conducting SrCo0.9Nb0.1O3−δ

(2016) Chung-Yul Yoo et al.   Journal of Physical Chemistry C

Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden–Popper Phases and Correlations to First-Principles Descriptors

(2016) Yueh-Lin Lee et al.   Journal of Physical Chemistry Letters

Oxygen Point Defect Chemistry in Ruddlesden–Popper Oxides (La1–xSrx)2MO4±δ (M = Co, Ni, Cu)

(2016) Wei Xie et al.   Journal of Physical Chemistry Letters

Factors controlling oxygen migration barriers in perovskites

(2016) Tam T. Mayeshiba et al.   SOLID STATE IONICS

The thermodynamic scale of inorganic crystalline metastability

(2016) W. Sun et al.   Science Advances

Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis

(2015) Wesley T. Hong et al.   Energy & Environmental Science

Probing LaMO3 Metal and Oxygen Partial Density of States Using X-ray Emission, Absorption, and Photoelectron Spectroscopy

(2015) Wesley T. Hong et al.   Journal of Physical Chemistry C

Promotion of Oxygen Reduction by Exsolved Silver Nanoparticles on a Perovskite Scaffold for Low-Temperature Solid Oxide Fuel Cells

(2015) Yinlong Zhu et al.   NANO LETTERS

Noteworthy performance of La1−xCaxMnO3 perovskites in generating H2 and CO by the thermochemical splitting of H2O and CO2

(2015) Sunita Dey et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surprisingly High Activity for Oxygen Reduction Reaction of Selected Oxides Lacking Long Oxygen-Ion Diffusion Paths at Intermediate Temperatures: A Case Study of Cobalt-Free BaFeO3-δ

(2014) Feifei Dong et al.   ACS Applied Materials & Interfaces

Carbon Dioxide Conversion by Reverse Water–Gas Shift Chemical Looping on Perovskite-Type Oxides

(2014) Yolanda A. Daza et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Investigation of Perovskite Structures as Oxygen-Exchange Redox Materials for Hydrogen Production from Thermochemical Two-Step Water-Splitting Cycles

(2014) Antoine Demont et al.   Journal of Physical Chemistry C

Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O K-edge X-ray Absorption Spectroscopy

(2014) Jin Suntivich et al.   Journal of Physical Chemistry C

High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

(2014) Cormac Toher et al.   PHYSICAL REVIEW B

Materials synthesis, electrochemical characterization and oxygen permeation properties of Fe-doped BaZrO3

(2014) Haomiao Zhang et al.   SOLID STATE IONICS

High-performance SrNb0.1Co0.9−xFexO3−δ perovskite cathodes for low-temperature solid oxide fuel cells

(2014) Yinlong Zhu et al.   Journal of Materials Chemistry A

A Highly Active Perovskite Electrode for the Oxygen Reduction Reaction Below 600 °C

(2013) Wei Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic Defect Formation in Fe-Doped BaZrO3 Studied by X-Ray Absorption Spectroscopy

(2013) Dong-Young Kim et al.   CHEMISTRY OF MATERIALS

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution

(2013) Alexis Grimaud et al.   Nature Communications

BaNb0.05Fe0.95O3−δ as a new oxygen reduction electrocatalyst for intermediate temperature solid oxide fuel cells

(2013) Feifei Dong et al.   Journal of Materials Chemistry A

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

First principles high throughput screening of oxynitrides for water-splitting photocatalysts

(2012) Yabi Wu et al.   Energy & Environmental Science

La-doped BaFeO3−δ perovskite as a cobalt-free oxygen reduction electrode for solid oxide fuel cells with oxygen-ion conducting electrolyte

(2012) Feifei Dong et al.   JOURNAL OF MATERIALS CHEMISTRY

Oxygen surface exchange properties of La0.6Sr0.4Co0.8Fe0.2O3 − δ coated with SmxCe1 − xO2 − δ

(2012) Tao Hong et al.   JOURNAL OF POWER SOURCES

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

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

Conductivity and electrochemical performance of (Ba0.5Sr0.5)0.8La0.2Fe1−xMnxO3−δ cathode prepared by the citrate–EDTA complexing method

(2011) I-Ming Hung et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal–air batteries

(2011) Jin Suntivich et al.   Nature Chemistry

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

(2011) J. Suntivich et al.   SCIENCE

Performance and stability of niobium-substituted Ba0.5Sr0.5Co0.8Fe0.2O3−δ membranes

(2011) S.M. Fang et al.   SOLID STATE IONICS

Oxygen exchange kinetics of La0.58Sr0.4Co0.2Fe0.8O3 at 600°C in dry and humid atmospheres

(2011) Edith Bucher et al.   SOLID STATE IONICS

Impact of humid atmospheres on oxygen exchange properties, surface-near elemental composition, and surface morphology of La0.6Sr0.4CoO3−δ

(2011) Edith Bucher et al.   SOLID STATE IONICS

A New Model Describing Solid Oxide Fuel Cell Cathode Kinetics: Model Thin Film SrTi1-xFexO3-δ Mixed Conducting Oxides-a Case Study

(2011) WooChul Jung et al.   Advanced Energy Materials

Phase transformation and oxygen equilibration kinetics of pure and Zr-doped Ba0.5Sr0.5Co0.8Fe0.2O3−δ perovskite oxide probed by electrical conductivity relaxation

(2010) S. Yakovlev et al.   APPLIED PHYSICS LETTERS

BSCF epitaxial thin films: Electrical transport and oxygen surface exchange

(2010) Mónica Burriel 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

Long-term stability of the oxygen exchange properties of (La,Sr)1−z(Co,Fe)O3−δ in dry and wet atmospheres

(2010) Edith Bucher et al.   SOLID STATE IONICS

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

Novel BaCo0.7Fe0.3−yNbyO3−δ (y=0–0.12) as a cathode for intermediate temperature solid oxide fuel cell

(2009) Chengjun Zhu et al.   ELECTROCHEMISTRY COMMUNICATIONS

Oxygen Surface Exchange Kinetics on Sr-Substituted Lanthanum Manganite and Ferrite Thin-Film Microelectrodes

(2009) G. J. la O’ et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Correlation of the Formation and the Decomposition Process of the BSCF Perovskite at Intermediate Temperatures

(2008) Mirko Arnold et al.   CHEMISTRY OF MATERIALS

Oxygen nonstoichiometry and exchange kinetics of Ba0.5Sr0.5Co0.8Fe0.2O3−δ

(2008) Edith Bucher et al.   SOLID STATE IONICS

Oxygen transport properties of Ba0.5Sr0.5Co0.8Fe0.2O3−x and Ca0.5Sr0.5Mn0.8Fe0.2O3−x obtained from permeation and conductivity relaxation experiments

(2008) E GIRDAUSKAITE et al.   SOLID STATE IONICS

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

(2008) S SVARCOVA   SOLID STATE IONICS