The electrical double layer (EDL) plays a central role in electrochemical energy systems,
impacting charge transfer mechanisms and reaction rates. The fundamental importance of …

Density functional theory (DFT) modeling has been useful to electrocatalyst research, yet
simulating the complexities of the electrode–electrolyte interface hinders progress in …

Metal-water interfaces are central to a wide range of crucial processes, including energy
storage, energy conversion, and corrosion. Understanding the detailed structure and …

Activation barriers for elementary electrochemical reactions can show strong dependence
on the composition and structure of the electrode–electrolyte interface, the electrochemical …

Polychlorinated biphenyls (PCBs), as a class of hydrophobic organic pollutants, are widely
found in river sediments and suspended particles, and the environmental fate of different …

Understanding electrochemical interfaces at a microscopic level is essential for elucidating
important electrochemical processes in electrocatalysis, batteries and corrosion. While\textit …

Knowledge of the concentration of alkali cations in an electrochemical double layer is
essential for interpreting and leveraging cation effects in electrocatalysis. We systematically …

Despite the importance of CO adsorption in many electrocatalytic reaction mechanisms,
there has been little investigation of the dependence of the free energy of CO adsorption on …

The rates of many electrocatalytic reactions can be strongly affected by the structure and
dynamics of the electrochemical double layer, which in turn can be tuned by the …

Water is crucial for various physicochemical processes at the liquid–solid interfaces. In
particular, the interfacial water, mediating the electric field and solvation effect along with the …