Modeling the sorption of gas molecules in densely packed bulk material can be a challenging task with standard molecular modeling methods like Molecular Dynamics (MD) or Monte Carlo (MC). This is especially true when the...
Dye-sensitized photoelectrochemical cells (DS-PEC) are promising systems for sustainable fuel production. A great advantage for their design is the modularity of these systems. In particular, it is of interest to tune the dye’s optical and...
The adsorption and intercalation of ions from the electrolyte into the interlayers of the electrode material is a key process in electrochemical energy storage. It is described by two adsorption extremes: 1) adsorption involving mainly...