Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations

Ab initio molecular dynamics simulations of the O 2 /Pt(1 1 1) interaction

(2016) Axel Groß   CATALYSIS TODAY

Kinetically induced irreversibility in electro-oxidation and reduction of Pt surface

(2015) Ryosuke Jinnouchi et al.   JOURNAL OF CHEMICAL PHYSICS

Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces

(2014) Heine A. Hansen et al.   Journal of Physical Chemistry C

Highly Crystalline Multimetallic Nanoframes with Three-Dimensional Electrocatalytic Surfaces

(2014) C. Chen et al.   SCIENCE

Platinum-Based Oxygen Reduction Electrocatalysts

(2013) Jianbo Wu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Selectivity of CO2Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

(2013) Xiaowa Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

(2013) David T. Limmer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Recent Development of Polymer Electrolyte Membranes for Fuel Cells

(2012) Hongwei Zhang et al.   CHEMICAL REVIEWS

Sequential Pt(111) oxide formation in perchloric acid: An electrochemical study of surface species inter-conversion

(2012) Ana M. Gómez-Marín et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

First-Principles Molecular Dynamics at a Constant Electrode Potential

(2012) Nicéphore Bonnet et al.   PHYSICAL REVIEW LETTERS

The charged interface between Pt and water: First principles molecular dynamics simulations

(2012) Tamio Ikeshoji et al.   AIP Advances

A first principles study of oxygen reduction reaction on a Pt(111) surface modified by a subsurface transition metal M (M = Ni, Co, or Fe)

(2011) Zhiyao Duan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

First principles based mean field model for oxygen reduction reaction

(2011) Ryosuke Jinnouchi et al.   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

Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)

(2010) John A. Keith et al.   CHEMPHYSCHEM

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

Hyper-Volcano Surface for Oxygen Reduction Reactions over Noble Metals

(2010) Yasuharu Okamoto et al.   Journal of Physical Chemistry C

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

Enhanced electrocatalysis of the oxygen reduction reaction based on patterning of platinum surfaces with cyanide

(2010) Dusan Strmcnik et al.   Nature Chemistry

Aqueous and Surface Redox Potentials from Self-Consistently Determined Gibbs Energies

(2008) Ryosuke Jinnouchi et al.   Journal of Physical Chemistry C

Electrode Dynamics from First Principles

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