OH formation and H2 adsorption at the liquid water–Pt(111) interface

DFT study of stabilization effects on N-doped graphene for ORR catalysis

(2018) Mateusz Reda et al.   CATALYSIS TODAY

Potential- and Rate-Determining Step for Oxygen Reduction on Pt(111)

(2017) Vladimir Tripkovic et al.   Journal of Physical Chemistry C

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide

(2017) Joaquin Resasco et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2017) Tamio Ikeshoji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modelling pH and potential in dynamic structures of the water/Pt(111) interface on the atomic scale

(2017) Martin Hangaard Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Faraday efficiency and mechanism of electrochemical surface reactions: CO2 reduction and H2 formation on Pt(111)

(2016) Javed Hussain et al.   FARADAY DISCUSSIONS

The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles

(2016) Sung Sakong et al.   JOURNAL OF CHEMICAL PHYSICS

Finite Bias Calculations to Model Interface Dipoles in Electrochemical Cells at the Atomic Scale

(2016) Martin Hangaard Hansen et al.   Journal of Physical Chemistry C

The Importance of the Electrochemical Environment in the Electro-Oxidation of Methanol on Pt(111)

(2016) Sung Sakong et al.   ACS Catalysis

Faraday efficiency and mechanism of electrochemical surface reactions: CO2 reduction and H2 formation on Pt(111)

(2016) Javed Hussain et al.   FARADAY DISCUSSIONS

Catechol and HCl Adsorption on TiO2(110) in Vacuum and at the Water–TiO2 Interface

(2015) Henrik H. Kristoffersen et al.   Journal of Physical Chemistry Letters

Selective Heterogeneous CO2 Electroreduction to Methanol

(2015) Seoin Back et al.   ACS Catalysis

Dispersion corrected RPBE studies of liquid water

(2014) Katrin Forster-Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

Embedding Covalency into Metal Catalysts for Efficient Electrochemical Conversion of CO2

(2014) Hyung-Kyu Lim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-performance Ag–Co alloy catalysts for electrochemical oxygen reduction

(2014) Adam Holewinski et al.   Nature Chemistry

Theoretical Considerations on the Electroreduction of CO to C2Species on Cu(100) Electrodes

(2013) Federico Calle-Vallejo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

pH effect on oxygen reduction reaction at Pt(111) electrode

(2013) Ming Fang Li et al.   ELECTROCHIMICA ACTA

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

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

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

Structural effects on the activity for the oxygen reduction reaction on n(111)–(100) series of Pt: correlation with the oxide film formation

(2012) Aya Hitotsuyanagi et al.   ELECTROCHIMICA ACTA

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

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

A molecular perspective of water at metal interfaces

(2012) Javier Carrasco et al.   NATURE MATERIALS

Effective Reversible Potential, Energy Loss, and Overpotential on Platinum Fuel Cell Cathodes

(2011) Feng Tian et al.   Journal of Physical Chemistry C

Effects of Li+, K+, and Ba2+ Cations on the ORR at Model and High Surface Area Pt and Au Surfaces in Alkaline Solutions

(2011) D. Strmcnik et al.   Journal of Physical Chemistry Letters

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals

(2011) Javier Carrasco et al.   PHYSICAL REVIEW LETTERS

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

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Rapid room-temperature synthesis of nanocrystalline spinels as oxygen reduction and evolution electrocatalysts

(2010) Fangyi Cheng et al.   Nature Chemistry

Separation of Temperature Effects on Double-Layer and Charge-Transfer Processes for Platinum|Solution Interphases. Entropy of Formation of the Double Layer and Absolute Molar Entropy of Adsorbed Hydrogen and OH on Pt(111)

(2009) Nuria Garcia-Araez et al.   Journal of Physical Chemistry C

Identification and Quantification of Oxygen Species Adsorbed on Pt(111) Single-Crystal and Polycrystalline Pt Electrodes by Photoelectron Spectroscopy

(2009) Mitsuru Wakisaka et al.   LANGMUIR

The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum

(2009) D. Strmcnik et al.   Nature Chemistry

Properties of metal–water interfaces studied from first principles

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

Introductory Lecture : Electrocatalysis: theory and experiment at the interface

(2008) Marc T. M. Koper   FARADAY DISCUSSIONS

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT

(2008) Heine A. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS