Heavy water microdroplet surface enriches the lighter isotopologue impurities

A Nandy, S Mondal, D Koner… - Journal of the American …, 2024 - ACS Publications
Water microdroplets promote unusual chemical reactions at the air–water interface.
However, the interfacial structure of water microdroplets and its potential influence on …

h-BN/Metal-Oxide Interface Grown by Intercalation: A Model System for Nano-Confined Catalysis

JT Diulus, Z Novotny, N Dongfang… - The Journal of …, 2024 - ACS Publications
Deposition of two-dimensional (2D) materials onto catalyst surfaces is known to alter the
adsorption energies of active sites due to the nanoconfinement effect. Traditionally, these 2D …

Tuning Interfacial Water Friction through Moiré Twist

C Liang, NR Aluru - ACS nano, 2024 - ACS Publications
Foundations of nanofluidics can enable advances in diverse applications such as water
desalination, energy harvesting, and biological analysis. Dynamically manipulating …

Photochemical Origins of Iron Flocculation in Acid Mine Drainage

H Ma, S Zhu, Z Huang, W Zheng, C Liu… - Environmental …, 2024 - ACS Publications
Acid mine drainage (AMD) raises a global environmental concern impacting the iron cycle.
Although the formation of Fe (III) minerals in AMD-impacted waters has previously been …

Reorientation of Hydrogen Bonds Renders Unusual Enhancement in Thermal Transport of Water in Nanoconfined Environments

Y Gao, Z Chen, Y Zhang, Y Wen, X Yu, B Shan… - Nano Letters, 2024 - ACS Publications
Liquid confined in a nanochannel or nanotube has exhibited a superfast transport
phenomenon, providing an ideal heat and mass transfer platform to meet the increasingly …

Water at electrode–electrolyte interfaces: combining HOD vibrational spectra with ab initio-molecular dynamics simulations

P Gunasekaran, X Du, A Burley, J Le, J Cheng… - Chemical …, 2024 - pubs.rsc.org
We have undertaken a vibrational study of the structure of interfacial water and its potential
dependence using H2O: D2O mixtures to explore the O–H and O–D stretching modes of …

Structure of Water under Confinement in Periodic Mesoporous Organosilicas Investigated by X-ray Scattering

NC Gießelmann, P Lenz, SM Meinert… - The Journal of …, 2023 - ACS Publications
The effect of pore wall chemistry and pore diameter on the structure of confined water was
studied by X-ray scattering on water confined in periodic mesoporous organosilicas (PMOs) …

Hydration level dependent dynamics of supercooled water confined in water harvester metal organic framework-303

J Mor, KL Pandey, SK Sharma - Journal of Molecular Liquids, 2024 - Elsevier
Crystallization of bulk water cannot be avoided in the temperature range 150–235 K, which
is known as no man's land in the literature focused on the dynamics of the supercooled …

Study on hydrodynamic properties and physicochemical stability of regular packing coatings for water isotope separation

Z Wang, Z Zou, S Li, X Xiong, C Li, X Zhang, G Li… - Materials Today …, 2024 - Elsevier
Water distillation as a mainstream separation process for water isotopes is widely applied in
industrial and basic research. Regular packing, a key component of water distillation, has …

From ab initio to continuum: Linking multiple scales using deep-learned forces

H Wu, C Liang, J Jeong, NR Aluru - The Journal of Chemical Physics, 2023 - pubs.aip.org
We develop a deep learning-based algorithm, called DeepForce, to link ab initio physics
with the continuum theory to predict concentration profiles of confined water. We show that …