285 citations · 1k across the 13 of their papers we have counts for
13 papers
Nonlocal dielectric properties of water: the role of electronic delocalisation
Darka Labavić, 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…
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…
Unified non-equilibrium simulation methodology for flow through nanoporous carbon membrane
Geoffrey Monet, Marie-Laure Bocquet, Lydéric Bocquet
The emergence of new nanoporous materials, based e.g. on 2D materials, offers new avenues for water filtration and energy. There is accordingly a need to investigate the molecular…
Coupled interactions at the ionic graphene/water interface
Anton Robert, Hélène Berthoumieux, Marie-Laure Bocquet
We compute ionic free energy adsorption profiles at aqueous graphene interface by developing a self-consistent approach. To do so, we design a microscopic model for water and put t…
Chemi-sorbed versus physi-sorbed surface charge and its impact on electrokinetic transport: carbon versus boron-nitride surface
Etienne Mangaud, Marie-Laure Bocquet, Lydéric Bocquet +1
The possibility to control electrokinetic transport through carbon and hexagonal boron nitride (hBN) nanotubes has recently opened new avenues for nanofluidic approaches to face ou…
Fluctuation-induced quantum friction in nanoscale water flows
Nikita Kavokine, Marie-Laure Bocquet, Lydéric Bocquet
The flow of water in carbon nanochannels has defied understanding thus far, with accumulating experimental evidence for ultra-low friction, exceptionally high water flow rates, and…