pH in atomic scale simulations of electrochemical interfaces

Water dissociation on well-defined platinum surfaces: The electrochemical perspective

(2012) Maria J.T.C. van der Niet et al.   CATALYSIS TODAY

First-principles computational electrochemistry: Achievements and challenges

(2012) Federico Calle-Vallejo et al.   ELECTROCHIMICA ACTA

Alignment of electronic energy levels at electrochemical interfaces

(2012) Jun Cheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Discovery of the Potential of Minimum Mass for Platinum Electrodes

(2011) Gregory Jerkiewicz et al.   LANGMUIR

Standard hydrogen electrode and potential of zero charge in density functional calculations

(2011) Vladimir Tripkovic et al.   PHYSICAL REVIEW B

Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li+-Ni(OH)2-Pt Interfaces

(2011) R. Subbaraman et al.   SCIENCE

Challenges in the first-principles description of reactions in electrocatalysis

(2010) Sebastian Schnur et al.   CATALYSIS TODAY

Oxidation of carbon monoxide on poly-oriented and single-crystalline platinum electrodes over a wide range of pH

(2010) Ruben Gisbert 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

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes

(2010) Wenchao Sheng et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS