Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites

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

The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis

(2010) Holger Dau et al.   ChemCatChem

Hydrogen Production via Chemical Looping Steam Reforming in a Periodically Operated Fixed-Bed Reactor

(2010) Rahul D. Solunke et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Steam electrolysis performance of intermediate-temperature solid oxide electrolysis cell and efficiency of hydrogen production system at 300 Nm3 h−1

(2010) Zhenwei Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

New solid-state table: estimating d-band characteristics for transition metal atoms

(2010) Nilay İnoğlu et al.   MOLECULAR SIMULATION

Competing strain effects in reactivity ofLaCoO3with oxygen

(2010) Akihiro Kushima et al.   PHYSICAL REVIEW B

High-Performance SOFC Cathodes Prepared by Infiltration

(2009) John M. Vohs et al.   ADVANCED MATERIALS

Uncertainty and figure selection for DFT based cluster expansions for oxygen adsorption on Au and Pt (111) surfaces

(2009) Spencer D. Miller et al.   MOLECULAR SIMULATION

Electrochemical chlorine evolution at rutile oxide (110) surfaces

(2009) Heine A. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Correlations in coverage-dependent atomic adsorption energies on Pd(111)

(2009) John R. Kitchin   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

Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(111) surfaces through adsorbate-induced surface electronic structure effects

(2009) Spencer D. Miller et al.   SURFACE SCIENCE

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

(2008) Eva M. Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements

(2008) Gianfranco Pacchioni   JOURNAL OF CHEMICAL PHYSICS

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

Interplay between External Strain and Oxygen Vacancies on a RutileTiO2(110)Surface

(2008) Da-Jun Shu et al.   PHYSICAL REVIEW LETTERS

A review of electrolyte and electrode materials for high temperature electrochemical CO2 and SO2 gas sensors

(2008) Jeffrey W. Fergus   SENSORS AND ACTUATORS B-CHEMICAL

The Influence of the Dipolar Field Effect on the Photochemical Reactivity of Sr2Nb2O7 and BaTiO3 Microcrystals

(2008) Jennifer L. Giocondi et al.   TOPICS IN CATALYSIS