Two dimensional (2D) materials and biomaterials for water desalination; structure, properties, and recent advances
Background An efficient solution to the global freshwater dilemma is desalination. MXene,
Molybdenum Disulfide (MoS 2), Graphene Oxide, Hexagonal Boron Nitride, and …
Molybdenum Disulfide (MoS 2), Graphene Oxide, Hexagonal Boron Nitride, and …
Critical knowledge gaps in mass transport through single-digit nanopores: A review and perspective
Not all nanopores are created equal. By definition, nanopores have characteristic diameters
or conduit widths between∼ 1 and 100 nm. However, the narrowest of such pores, perhaps …
or conduit widths between∼ 1 and 100 nm. However, the narrowest of such pores, perhaps …
Multiscale computational understanding and growth of 2D materials: a review
The successful discovery and isolation of graphene in 2004, and the subsequent synthesis
of layered semiconductors and heterostructures beyond graphene have led to the exploding …
of layered semiconductors and heterostructures beyond graphene have led to the exploding …
Evidence of formation of 1–10 nm diameter ice nanotubes in double-walled carbon nanotube capillaries
Y Liu, J Jiang, Y Pu, JS Francisco, XC Zeng - ACS nano, 2023 - ACS Publications
Water exhibits rich phase behaviors in nanoscale confinement. Since the simulation
evidence of the formation of single-walled ice nanotubes (INTs) in single-walled carbon …
evidence of the formation of single-walled ice nanotubes (INTs) in single-walled carbon …
Differences in water and vapor transport through angstrom-scale pores in atomically thin membranes
The transport of water through nanoscale capillaries/pores plays a prominent role in biology,
ionic/molecular separations, water treatment and protective applications. However, the …
ionic/molecular separations, water treatment and protective applications. However, the …
Insights into water permeation through hBN nanocapillaries by ab initio machine learning molecular dynamics simulations
Water permeation between stacked layers of hBN sheets forming 2D nanochannels is
investigated using large-scale ab initio-quality molecular dynamics simulations. A high …
investigated using large-scale ab initio-quality molecular dynamics simulations. A high …
INDEEDopt: a deep learning-based ReaxFF parameterization framework
Empirical interatomic potentials require optimization of force field parameters to tune
interatomic interactions to mimic ones obtained by quantum chemistry-based methods. The …
interatomic interactions to mimic ones obtained by quantum chemistry-based methods. The …
Close-packed ices in nanopores
Water molecules in any of the ice polymorphs organize themselves into a perfect four-
coordinated hydrogen-bond network at the expense of dense packing. Even at high …
coordinated hydrogen-bond network at the expense of dense packing. Even at high …
Water under extreme confinement in graphene: Oscillatory dynamics, structure, and hydration pressure explained as a function of the confinement width
Graphene nanochannels are relevant for their possible applications, as in water purification,
and for the challenge of understanding how they change the properties of confined liquids …
and for the challenge of understanding how they change the properties of confined liquids …
New insights into the interactions between two‐dimensional ice and two‐dimensional materials
Water is one of the most essential substances for life on Earth and plays a vital role in both
natural and technological processes. Recently, there has been growing interest in studying …
natural and technological processes. Recently, there has been growing interest in studying …