Theory of electrocatalysis: hydrogen evolution and more

Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method

(2012) Ya-Hui Fang et al.   CATALYSIS TODAY

Theory meets experiment: Electrocatalysis of hydrogen oxidation/evolution at Pd–Au nanostructures

(2011) P. Quaino et al.   CATALYSIS TODAY

Hydrogen Electrocatalysis on Single Crystals and on Nanostructured Electrodes

(2011) Elizabeth Santos et al.   CHEMPHYSCHEM

A model for the electrical double layer combining integral equation techniques with quantum density functional theory

(2011) N.B. Luque et al.   ELECTROCHIMICA ACTA

Electron transfer to heteronuclear diatomic molecules

(2011) E. Santos et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Reversible redox reaction and water configuration on a positively charged platinum surface: first principles molecular dynamics simulation

(2011) Tamio Ikeshoji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen electrocatalysis on overlayers of rhodium over gold and palladium substrates—more active than platinum?

(2011) G. Soldano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Insights into electrocatalysis

(2011) Alfred B. Anderson   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)

(2010) John A. Keith et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen Evolution on Single-Crystal Copper and Silver: A Theoretical Study

(2010) Elizabeth Santos et al.   CHEMPHYSCHEM

Hydrogen oxidation kinetics on model Pd/C electrodes: Electrochemical impedance spectroscopy and rotating disk electrode study

(2010) Sergey N. Pronkin et al.   ELECTROCHIMICA ACTA

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Impedance spectroscopy of H and OH adsorption on stepped single-crystal platinum electrodes in alkaline and acidic media

(2010) K. J. P. Schouten et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the electrocatalysis of nanostructures: Monolayers of a foreign atom (Pd) on different substrates M(111)

(2009) E. Santos et al.   ELECTROCHIMICA ACTA

Model for the electrocatalysis of hydrogen evolution

(2009) E. Santos et al.   PHYSICAL REVIEW B

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Electrode Dynamics from First Principles

(2008) Minoru Otani et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Electronic interactions decreasing the activation barrier for the hydrogen electro-oxidation reaction

(2007) Elizabeth Santos et al.   ELECTROCHIMICA ACTA