Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides

(2013) Federico Calle-Vallejo et al.   Chemical Science

Why is Gold such a Good Catalyst for Oxygen Reduction in Alkaline Media?

(2012) P. Quaino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer: Comparison of Explicit and Implicit Solvent Simulations

(2012) Benjamin Auer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effective Reversible Potentials and Onset Potentials for O2 Electroreduction on Transition Metal Electrodes: Theoretical Analysis

(2012) Alfred B. Anderson et al.   Journal of Physical Chemistry C

Unifying the 2e– and 4e– Reduction of Oxygen on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   Journal of Physical Chemistry Letters

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

(2012) Andrew A. Peterson et al.   Journal of Physical Chemistry Letters

Analysis of electrocatalytic reaction schemes: distinction between rate-determining and potential-determining steps

(2012) Marc T. M. Koper   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Two Pathways for the Formation of Ethylene in CO Reduction on Single-Crystal Copper Electrodes

(2012) Klaas Jan P. Schouten et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theory of the transition from sequential to concerted electrochemical proton–electron transfer

(2012) Marc T. M. Koper   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Physical and Chemical Nature of the Scaling Relations between Adsorption Energies of Atoms on Metal Surfaces

(2012) F. Calle-Vallejo et al.   PHYSICAL REVIEW LETTERS

Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins

(2012) F. Calle-Vallejo et al.   SURFACE SCIENCE

Developing the mechanism of dioxygen reduction catalyzed by multicopper oxidases using protein film electrochemistry

(2012) James A. Cracknell et al.   Chemical Science

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   ACS Catalysis

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Proton management as a design principle for hydrogenase-inspired catalysts

(2011) Yolanda A. Small et al.   Energy & Environmental Science

Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: Sequential, concerted, and complex branching mechanisms

(2011) Alexander V. Soudackov et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Electrocatalytic Oxidation of Alcohols on Gold in Alkaline Media: Base or Gold Catalysis?

(2011) Youngkook Kwon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure sensitivity and nanoscale effects in electrocatalysis

(2011) Marc T. M. Koper   Nanoscale

The promoting effect of adsorbed carbon monoxide on the oxidation of alcohols on a gold catalyst

(2011) Paramaconi Rodriguez et al.   Nature Chemistry

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

(2011) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Insights into electrocatalysis

(2011) Alfred B. Anderson   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A new mechanism for the selectivity to C1 and C2 species in the electrochemical reduction of carbon dioxide on copper electrodes

(2011) K. J. P. Schouten et al.   Chemical Science

Concerted Proton−Electron Transfers: Electrochemical and Related Approaches

(2010) Cyrille Costentin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Theory of Coupled Electron and Proton Transfer Reactions

(2010) Sharon Hammes-Schiffer et al.   CHEMICAL REVIEWS

Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis

(2010) Marc T.M. Koper   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Unusually Large Tunneling Effect on Highly Efficient Generation of Hydrogen and Hydrogen Isotopes in pH-Selective Decomposition of Formic Acid Catalyzed by a Heterodinuclear Iridium−Ruthenium Complex in Water

(2010) Shunichi Fukuzumi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Development of Molecular Electrocatalysts for CO2Reduction and H2Production/Oxidation

(2009) M. Rakowski Dubois et al.   ACCOUNTS OF CHEMICAL RESEARCH

Solar Fuels via Artificial Photosynthesis

(2009) Devens Gust et al.   ACCOUNTS OF CHEMICAL RESEARCH

Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

(2009) Carsten Stegelmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Towards the computational design of solid catalysts

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

Bond-breaking electron transfer of diatomic reactants at metal electrodes

(2008) E. Santos et al.   CHEMICAL PHYSICS

O2 Reduction to H2O by the multicopper oxidases

(2008) Edward I. Solomon et al.   DALTON TRANSACTIONS

Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†

(2008) Sharon Hammes-Schiffer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toward a Chemical Mechanism of Proton Pumping by the B-Type CytochromecOxidases: Application of Density Functional Theory to Cytochromeba3ofThermus thermophilus

(2008) James A. Fee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactivity descriptors for direct methanol fuel cell anode catalysts

(2008) Peter Ferrin et al.   SURFACE SCIENCE