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 …

Atomistic simulation of the electrochemical double layer is an ambitious undertaking,
requiring quantum mechanical description of electrons, phase space sampling of liquid …

Solid–liquid interface engineering has recently emerged as a promising technique to
optimize the activity and product selectivity of the electrochemical reduction of CO2. In …

The development of bimetal based catalysts via interfacial engineered strategy has been
intensively explored due to its great potential for enhancing the electrochemical …

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

Nitrogen‐doped titanium carbides (MXene) films exhibit extraordinary volumetric
capacitance when high‐concentration sulfuric acid electrolyte is utilized owing to the …

Potential dependencies of adsorption energies at metal electrodes are often interpreted in
terms of a dipole-field interaction picture. Classical electrostatics would then suggest …

Experimental cyclic voltammograms (CVs) measured in the slow scan rate limit can be
entirely described in terms of the thermodynamic equilibrium quantities of the electrified …

Underpotential electrochemical deposition is a convenient approach for precisely controlling
the fabrication process of single-atom catalysts (SACs). In achieving a balance between …

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 …