Fluids and electrolytes under confinement in single-digit nanopores

NR Aluru, F Aydin, MZ Bazant, D Blankschtein… - Chemical …, 2023 - ACS Publications
Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics
and chemistry that impact the mass transport and energy efficiency in many important …

Construction of high accuracy machine learning interatomic potential for surface/interface of nanomaterials—A review

K Wan, J He, X Shi - Advanced Materials, 2024 - Wiley Online Library
The inherent discontinuity and unique dimensional attributes of nanomaterial surfaces and
interfaces bestow them with various exceptional properties. These properties, however, also …

Ion transport and ultra-efficient osmotic power generation in boron nitride nanotube porins

Z Li, AT Hall, Y Wang, Y Li, DO Byrne, LR Scammell… - Science …, 2024 - science.org
Nanotube porins form transmembrane nanomaterial-derived scaffolds that mimic the
geometry and functionality of biological membrane channels. We report synthesis, transport …

[HTML][HTML] Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials

A Omranpour, P Montero De Hijes, J Behler… - The Journal of …, 2024 - pubs.aip.org
As the most important solvent, water has been at the center of interest since the advent of
computer simulations. While early molecular dynamics and Monte Carlo simulations had to …

[HTML][HTML] Recent progress in fabrication and application of BN nanostructures and BN-based nanohybrids

DV Shtansky, AT Matveev, ES Permyakova, DV Leybo… - Nanomaterials, 2022 - mdpi.com
Due to its unique physical, chemical, and mechanical properties, such as a low specific
density, large specific surface area, excellent thermal stability, oxidation resistance, low …

Origin of dielectric polarization suppression in confined water from first principles

T Dufils, C Schran, J Chen, AK Geim, L Fumagalli… - Chemical …, 2024 - pubs.rsc.org
It has long been known that the dielectric constant of confined water should be different from
that in bulk. Recent experiments have shown that it is vanishingly small, however the origin …

Probing structural superlubricity of two-dimensional water transport with atomic resolution

D Wu, Z Zhao, B Lin, Y Song, J Qi, J Jiang, Z Yuan… - Science, 2024 - science.org
Low-dimensional water transport can be drastically enhanced under atomic-scale
confinement. However, its microscopic origin is still under debate. In this work, we directly …

The role of the water contact layer on hydration and transport at solid/liquid interfaces

J Gäding, V Della Balda, J Lan, J Konrad… - Proceedings of the …, 2024 - pnas.org
Understanding the structure in the nanoscopic region of water that is in direct contact with
solid surfaces, so-called contact layer, is key to quantifying macroscopic properties that are …

Water electric field induced modulation of the wetting of hexagonal boron nitride: Insights from multiscale modeling of many-body polarization

S Luo, RP Misra, D Blankschtein - ACS nano, 2024 - ACS Publications
Understanding the behavior of water contacting two-dimensional materials, such as
hexagonal boron nitride (hBN), is important in practical applications, including seawater …

Quantum feedback at the solid-liquid interface: Flow-induced electronic current and its negative contribution to friction

B Coquinot, L Bocquet, N Kavokine - Physical Review X, 2023 - APS
An electronic current driven through a conductor can induce a current in another conductor
through the famous Coulomb drag effect. Similar phenomena have been reported at the …