Density functional theory-based electrochemical models for the oxygen reduction reaction: Comparison of modeling approaches for electric field and solvent effects

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

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction

(2010) Yao Sha et al.   Journal of Physical Chemistry Letters

CO-Coverage-Dependent Oxygen Dissociation on Pt(111) Surface

(2009) Bin Shan et al.   Journal of Physical Chemistry C

First-Principle Study of the Adsorption and Dissociation of O2 on Pt(111) in Acidic Media

(2009) Lihui Ou et al.   Journal of Physical Chemistry C

Surface Phase Diagram and Oxygen Coupling Kinetics on Flat and Stepped Pt Surfaces under Electrochemical Potentials

(2009) Ya-Hui Fang et al.   Journal of Physical Chemistry C

Properties of metal–water interfaces studied from first principles

(2009) Sebastian Schnur et al.   NEW JOURNAL OF PHYSICS

Electronic structure models of oxygen adsorption at the solvated, electrified Pt(111) interface

(2009) Kuan-Yu Yeh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio study of oxygenreduction mechanism at Pt4cluster

(2009) Ata Roudgar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-Principles Analysis of Oxygen-Containing Adsorbates Formed from the Electrochemical Discharge of Water on Pt(111)

(2008) V. Rai et al.   Journal of Physical Chemistry C

Density-Functional Analysis of Hydrogen on Pt(111): Electric Field, Solvent, and Coverage Effects

(2008) Ikutaro Hamada et al.   Journal of Physical Chemistry C

First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)

(2008) Michael J. Janik et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects

(2008) Sally A. Wasileski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory

(2008) Ryosuke Jinnouchi et al.   PHYSICAL REVIEW B

Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces

(2008) Anand Udaykumar Nilekar et al.   SURFACE SCIENCE