Deep Eutectic Solvent Reline at 2D Nanomaterial Interfaces

The behavior of reline (choline chloride mixed with urea at a 1-to-2 mole ratio) deep eutectic solvent at the interfaces of 2D nanomaterials was studied by using molecular simulation methods. Graphene, boron nitride, silicene, germanene, and molybdenum disulfide were studied for considering the most relevant features of available 2D nanomaterials. The reline–nanomaterial interactions were analyzed, and the mechanism of reline adsorption with the properties at the interfaces was studied. Likewise, the behavior of the deep eutectic solvent upon confinement between parallel nanosheets was considered as a model of properties when placed in slit nanopores. The results provide a nanoscopic vision of the adsorption and confinement of reline regarding 2D nanomaterials, thus advancing the development of new materials based on deep eutectics.