Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …

Proton-coupled electron transfer (PCET) plays an essential role in a wide range of
electrocatalytic processes. A vast array of theoretical and computational methods have been …

Rational construction of the electrode–solution interface where electrochemical processes
occur is of paramount importance in electrochemistry. Efforts to gain better control and …

The rechargeability of lithium metal batteries strongly depends on the electrolyte. The
uniformity of the electroplated Li anode morphology underlies this dependence, so …

The microscopic theory of chemical reactions is based on transition state theory, where
atoms or ions transfer classically over an energy barrier, as electrons maintain their ground …

Accurate theoretical simulation of electrochemical activation barriers is key to understanding
electrocatalysis and guides the design of more efficient catalysts. Providing a detailed …

Electrochemical interfaces present an extraordinarily complex reaction environment, and
several, often counter-acting, interactions contribute to rate constants of electrocatalytic …

Interfacial proton-coupled electron transfer (PCET) reactions are central to the operation of a
wide array of energy conversion technologies, but molecular-level insights into interfacial …

The unique feature of electrochemistry is the ability to control reaction thermodynamics and
kinetics by the application of electrode potential. Recently, theoretical methods and …

Multi-electron, multi-proton transfer is important in a wide spectrum of processes spanning
biological, chemical and physical systems. These reactions have attracted significant …