2 papers
physics.chem-ph2025
Nonlocal dielectric properties of water: the role of electronic delocalisation
Darka LabaviÄ, Florian N. Brünig, Roland R. Netz +2
The nonlocal dielectric properties of liquid water are studied in the context of {\it ab initio} molecular dynamics simulations based on density functional theory. We calculate the…
physics.chem-ph2025
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface
Yongkang Wang, Haojian Luo, Xavier R. Advincula +14
Boron, nitrogen and carbon are neighbors in the periodic table and can form strikingly similar twin structures-hexagonal boron nitride (hBN) and graphene-yet nanofluidic experiment…