Electrocatalysis is central to the production of renewable fuels and high-value commodity
chemicals. The electrolyte and the electrode together determine the catalytic properties of …

Aqueous charge injection in forms of electrons, protons, lone pairs, ions, and molecular
dipoles by solvation is ubiquitously important to our health and life. Pursuing fine-resolution …

Highlights•Water and protein mobility are inextricably linked and therefore water itself plays
an essential role in protein function.•IDPs have a larger solvent accessible area compared to …

The solvation shell is essential for the folding and function of proteins, but how it contributes
to protein misfolding and aggregation has still to be elucidated. We show that the mobility of …

Despite the lower toxicity of water-based lubricants over nonrenewable petroleum-based
analogues, they face challenges in achieving widespread adoption due to low stability and …

We investigated the dynamic properties of alkali halide solutions (NaCl, NaF, NaBr, NaI,
LiCl, and KCl) using molecular dynamics simulations and several non-polarisable …

Aqueous solutions of FeCl3 have been widely studied to shed light on a number of
processes from dissolution, mineralization, biology, electrocatalysis, corrosion, to microbial …

The interface between the Pt (111) surface and several MeF/HClO4 (Me+= Li+, Na+, or Cs+)
aqueous electrolytes is investigated by means of cyclic voltammetry and laser-induced …

We present an atomistic simulation scheme for the determination of the hydration number (h)
of aqueous electrolyte solutions based on the calculation of the water dipole reorientation …

Dynamic fluctuations in the hydrogen-bond network of water occur from femto-to
nanosecond timescales and provide insight into the structural/dynamical aspects of water at …