From the stability of colloidal suspensions to the charging of electrodes, electric double
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …

The electric double layer governs the processes of all charged surfaces in aqueous
solutions; however, elucidating the structure of the water molecules is challenging for even …

A temperature difference between two electrolyte-immersed electrodes often yields a
voltage Δ ψ between them. This electrolyte Seebeck effect is usually explained by cations …

There is an ongoing discussion in the literature if simulations of electrochemical reactions
should be performed at constant electrode potential. In this context we examine the …

Nuclear quantum effects play critical roles in a variety of molecular processes, especially in
systems that contain hydrogen and other light nuclei, such as water. For water under …

The hydration shells of proteins mediate interactions, such as small molecule binding, that
are vital to their biological function or in some cases their dysfunction. However, even when …

The surface charge of an open water surface is crucial for solvation phenomena and
interfacial processes in aqueous systems. However, the magnitude of the charge is …

In modelling electrochemical interfaces it is important to treat electrode and electrolyte at the
same level of theory. Density functional theory, which is usually the method of choice, suffers …

The air–water interface is a highly prevalent phase boundary impacting many natural and
artificial processes. The significance of this interface arises from the unique properties of …

The radial number density profiles of halide and alkali ions in aqueous clusters with
equimolar radius≲ 1.4 nm, which correspond to≲ 255 H2O molecules, have been …