Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides

Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides

(2012) Mónica García-Mota et al.   Journal of Physical Chemistry C

Trends in activity for the water electrolyser reactions on 3d M(Ni,Co,Fe,Mn) hydr(oxy)oxide catalysts

(2012) Ram Subbaraman et al.   NATURE MATERIALS

Physical and Chemical Nature of the Scaling Relations between Adsorption Energies of Atoms on Metal Surfaces

(2012) F. Calle-Vallejo et al.   PHYSICAL REVIEW LETTERS

Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution

(2011) Mónica García-Mota et al.   ChemCatChem

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

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

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

Configurational correlations in the coverage dependent adsorption energies of oxygen atoms on late transition metal fcc(111) surfaces

(2011) Spencer D. Miller et al.   JOURNAL OF CHEMICAL PHYSICS

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides

(2011) A. Vojvodic et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2011) Jin Suntivich et al.   Nature Chemistry

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

(2011) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optimizing Perovskites for the Water-Splitting Reaction

(2011) A. Vojvodic et al.   SCIENCE

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

(2011) J. Suntivich et al.   SCIENCE

Identification of Sulfur-Tolerant Bimetallic Surfaces Using DFT Parametrized Models and Atomistic Thermodynamics

(2011) Nilay İnoğlu et al.   ACS Catalysis

Trends in Stability of Perovskite Oxides

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

Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis

(2010) Marc T.M. Koper   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces

(2010) D. J. Mowbray et al.   Journal of Physical Chemistry C

Electrocatalytic Measurement Methodology of Oxide Catalysts Using a Thin-Film Rotating Disk Electrode

(2010) Jin Suntivich et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Volcano Relation for the Deacon Process over Transition-Metal Oxides

(2009) Felix Studt et al.   ChemCatChem

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Electrochemical chlorine evolution at rutile oxide (110) surfaces

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

Formation energies of rutile metal dioxides using density functional theory

(2009) J. I. Martínez 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

Monolayer bimetallic surfaces: Experimental and theoretical studies of trends in electronic and chemical properties

(2008) Jingguang G. Chen et al.   SURFACE SCIENCE REPORTS