Ab initiodefect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study ofLaMnO3versusSrTiO3andLaAlO3

Revealing the atomic structure and strontium distribution in nanometer-thick La0.8Sr0.2CoO3−δ grown on (001)-oriented SrTiO3

(2014) Zhenxing Feng et al.   Energy & Environmental Science

Cation Size Mismatch and Charge Interactions Drive Dopant Segregation at the Surfaces of Manganite Perovskites

(2013) Wonyoung Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A-Site Diffusion in La1 −xSrxMnO3: Ab Initio and Kinetic Monte Carlo Calculations

(2013) B. Puchala et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Concentration of Vacancies at Metal-Oxide Surfaces: Case Study of MgO(100)

(2013) Norina A. Richter et al.   PHYSICAL REVIEW LETTERS

Electric modulation of magnetization at the BaTiO3/La0.67Sr0.33MnO3 interfaces

(2012) H. Lu et al.   APPLIED PHYSICS LETTERS

Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells

(2012) Ethan J. Crumlin et al.   Energy & Environmental Science

Mechanism of La0.6Sr0.4Co0.2Fe0.8O3 cathode degradation

(2012) Dongjo Oh et al.   JOURNAL OF MATERIALS RESEARCH

Suppression of Sr surface segregation in La1−xSrxCo1−yFeyO3−δ: a first principles study

(2012) Hepeng Ding et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

Enhancement of La0.6Sr0.4Co0.2Fe0.8O3-δ durability and surface electrocatalytic activity by La0.85Sr0.15MnO3±δ investigated using a new test electrode platform

(2011) Matthew E. Lynch 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

New Insights into the Strain Coupling to Surface Chemistry, Electronic Structure, and Reactivity of La0.7Sr0.3MnO3

(2011) Helia Jalili et al.   Journal of Physical Chemistry Letters

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

(2011) Jin Suntivich et al.   Nature Chemistry

Ab initio and empirical defect modeling of LaMnO3±δfor solid oxidefuel cell cathodes

(2011) Yueh-Lin Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Origin of Sr segregation at La1−xSrxMnO3surfaces

(2011) Walter A. Harrison   PHYSICAL REVIEW B

Oxygen adsorption atLa1−xSrxMnO3(001) surfaces: Predictions from first principles

(2011) Sergei Piskunov et al.   PHYSICAL REVIEW B

First-principles study of polar LaAlO (001) surface stabilization by point defects

(2011) Hosung Seo et al.   PHYSICAL REVIEW B

First-Principles Modeling of Electrostatically Doped Perovskite Systems

(2011) Massimiliano Stengel   PHYSICAL REVIEW LETTERS

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

(2011) J. Suntivich et al.   SCIENCE

Imaging oxygen defects and their motion at a manganite surface

(2011) B. Bryant et al.   Nature Communications

Electronic and Magnetic Properties of SrTiO3/LaAlO3 Interfaces from First Principles

(2010) Hanghui Chen et al.   ADVANCED MATERIALS

Trends in Stability of Perovskite Oxides

(2010) Federico Calle-Vallejo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic Activity Enhancement for Oxygen Reduction on Epitaxial Perovskite Thin Films for Solid-Oxide Fuel Cells

(2010) Gerardo Jose la O' et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atomically resolved scanning tunneling microscopy on perovskite manganite single crystals

(2010) Sahana Rößler et al.   APPLIED PHYSICS LETTERS

Soft X-Ray Spectroscopic Study of Dense Strontium-Doped Lanthanum Manganite Cathodes for Solid Oxide Fuel Cell Applications

(2010) L. F. J. Piper et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Competing strain effects in reactivity ofLaCoO3with oxygen

(2010) Akihiro Kushima et al.   PHYSICAL REVIEW B

Electron tunneling characteristics on La0.7Sr0.3MnO3 thin-film surfaces at high temperature

(2009) Khabiboulakh Katsiev et al.   APPLIED PHYSICS LETTERS

Activity Enhancement of Dense Strontium-Doped Lanthanum Manganite Thin Films under Cathodic Polarization: A Combined AES and XPS Study

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

Berry-phase theory of polar discontinuities at oxide-oxide interfaces

(2009) Massimiliano Stengel et al.   PHYSICAL REVIEW B

First-principles study on energetics of intrinsic point defects inLaAlO3

(2009) Xin Luo et al.   PHYSICAL REVIEW B

Oxide superlattices with alternatingpandninterfaces

(2009) N. C. Bristowe et al.   PHYSICAL REVIEW B

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

Tunable Metallicity of theLa5/8Ca3/8MnO3(001)Surface by an Oxygen Overlayer

(2009) K. Fuchigami et al.   PHYSICAL REVIEW LETTERS

Avoiding the Polarization Catastrophe inLaAlO3Overlayers onSrTiO3(001)through Polar Distortion

(2009) Rossitza Pentcheva et al.   PHYSICAL REVIEW LETTERS

In situ characterization of strontium surface segregation in epitaxial La0.7Sr0.3MnO3 thin films as a function of oxygen partial pressure

(2008) Tim T. Fister et al.   APPLIED PHYSICS LETTERS

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

Electronic structure and thermodynamic stability ofLaMnO3andLa1−xSrxMnO3(001) surfaces:Ab initiocalculations

(2008) Sergei Piskunov et al.   PHYSICAL REVIEW B

Refinement of the bulk defect model for LaxSr1−xMnO3±δ☆

(2008) D MEBANE   SOLID STATE IONICS

Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

(2008) Yu.A. Mastrikov et al.   SURFACE SCIENCE