Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …

First-principles predictions play an important role in understanding chemistry at the
electrochemical interface. Electronic structure calculations are straightforward for vacuum …

Abstract 2D ion‐intercalated metal oxides are emerging promising new electrodes for
supercapacitors because of their unique layered structure as well as distinctive electronic …

Electrosorption of solvated species at metal electrodes is a most fundamental class of
processes in interfacial electrochemistry. Here, we use its sensitive dependence on the …

Abstract We investigate the Johari–Goldstein (JG) β β-relaxation process in a model metallic
glass-forming (GF) material (Al _ 90 Sm _ 10 Al 90 Sm 10), previously studied extensively by …

The electron transfer process (ETP) of a photocatalyst plays a crucial role in clarifying its
photoelectrochemical catalytic mechanism. BiOX (X= F, Cl, Br, I)(001) surfaces display …

Continuum models have a long tradition in computational chemistry, where they have
provided a compact and efficient way to characterize environment effects in quantum …

Cyclic voltammograms (CVs) are a central experimental tool for assessing the structure and
activity of electrochemical interfaces. Based on a mean-field ansatz for the interface …

Pseudocapacitors are energy-storage devices characterized by fast and reversible redox
reactions that enable them to store large amounts of electrical energy at high rates. We …

The electrified aqueous/metal interface is critical in controlling the performance of energy
conversion and storage devices, but an atomistic understanding of even basic interfacial …