The electrolyte is the heart of any fuel cell. Ideally, this component effectively separates the
anode and cathode gases and/or liquids and mediates the electrochemical reaction …

An initial review (PCET1) on proton-coupled electron transfer (PCET) by Huynh and Meyer
appeared in Chemical Reviews in 2007.(1) This is a follow-up on the original. It was …

At the core of many important energy conversion processes in chemistry and biology are
oxidation-reduction reactions in which both electrons and protons are transferred. An …

Understanding the structure and dynamics of water's constituent ions, proton and hydroxide,
has been a subject of numerous experimental and theoretical studies over the last century …

Compared to other ions, protons (H+) and hydroxide ions (OH-) exhibit anomalously high
mobilities in aqueous solutions. On a qualitative level, this behaviour has long been …

In the last decade, ab initio simulations and especially Car–Parrinello molecular dynamics
have significantly contributed to the improvement of our understanding of both the physical …

The dissociation of a water molecule in liquid water is the fundamental event in acid-base
chemistry, determining the pH of water. Because of the short time scales and microscopic …

Proton channels exist in a wide variety of membrane proteins where they transport protons
rapidly and efficiently. Usually the proton pathway is formed mainly by water molecules …

Neat liquid phosphoric acid (H3PO4) has the highest intrinsic proton conductivity of any
known substance and is a useful model for understanding proton transport in other …

This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …