In Operando Self-Healing of Perovskite Electrocatalysts: A Case Study of SrCoO3 for the Oxygen Evolution Reaction

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electronic Structure Evolution of SrCoOx during Electrochemically Driven Phase Transition Probed by in Situ X-ray Spectroscopy

(2016) Qiyang Lu et al.   Journal of Physical Chemistry C

A New Family of Perovskite Catalysts for Oxygen-Evolution Reaction in Alkaline Media: BaNiO3 and BaNi0.83O2.5

(2016) Jin Goo Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Voltage-Controlled Topotactic Phase Transition in Thin-Film SrCoOx Monitored by In Situ X-ray Diffraction

(2016) Qiyang Lu et al.   NANO LETTERS

A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction

(2016) Linsey C. Seitz et al.   SCIENCE

Water electrolysis on La1−xSrxCoO3−δ perovskite electrocatalysts

(2016) J. Tyler Mefford et al.   Nature Communications

Formation and Migration of Oxygen Vacancies in SrCoO3 and Their Effect on Oxygen Evolution Reactions

(2016) Hassan A. Tahini et al.   ACS Catalysis

Structural and Catalytic Effects of Iron- and Scandium-Doping on a Strontium Cobalt Oxide Electrocatalyst for Water Oxidation

(2016) Bryan R. Wygant et al.   ACS Catalysis

A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution

(2016) Xi Rong et al.   ACS Catalysis

Oxygen Evolution Reaction on La1–xSrxCoO3 Perovskites: A Combined Experimental and Theoretical Study of Their Structural, Electronic, and Electrochemical Properties

(2015) Xi Cheng et al.   CHEMISTRY OF MATERIALS

Design Principles of Perovskites for Thermochemical Oxygen Separation

(2015) Miriam Ezbiri et al.   ChemSusChem

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting

(2015) Joseph H. Montoya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of oxygen-deficientLaNiO3structures

(2015) Andrei Malashevich et al.   PHYSICAL REVIEW B

Design of Highly Active Perovskite Oxides for Oxygen Evolution Reaction by Combining Experimental and ab Initio Studies

(2015) Min Ho Seo et al.   ACS Catalysis

Why Is Bulk Thermochemistry a Good Descriptor for the Electrocatalytic Activity of Transition Metal Oxides?

(2015) Federico Calle-Vallejo et al.   ACS Catalysis

High activity and durability of novel perovskite electrocatalysts for water oxidation

(2015) Wei Zhou et al.   Materials Horizons

DFT study of the stability of oxygen vacancy in cubic ABO3 perovskites

(2014) Hai-Yan Su et al.   JOURNAL OF MATERIALS SCIENCE

Ca2Mn2O5 as Oxygen-Deficient Perovskite Electrocatalyst for Oxygen Evolution Reaction

(2014) Jaemin Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Spinel-type lithium cobalt oxide as a bifunctional electrocatalyst for the oxygen evolution and oxygen reduction reactions

(2014) Thandavarayan Maiyalagan et al.   Nature Communications

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2013) Alexis Grimaud et al.   Nature Communications

Oxygen exchange kinetics on solid oxide fuel cell cathode materials—general trends and their mechanistic interpretation

(2012) Lei Wang et al.   JOURNAL OF MATERIALS RESEARCH

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

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

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

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2011) J. Suntivich et al.   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

A Self-Healing Oxygen-Evolving Catalyst

(2009) Daniel A. Lutterman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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