Results 71 to 80 of about 3,630 (225)

Advanced Multiscale Modeling for Revealing Anomalous Fluid Transport Induced by Confinement Interfacial Layer Reconstruction in Sub‐10 nm Space

open access: yesAdvanced Science, EarlyView.
Integrating experimental insights with molecular dynamics simulations, we establish an advanced mathematical model for fluids confined in sub‐10‐nm channels, enabling quantitative prediction of interfacial layer thickness and viscosity by accounting for channel material, temperature, and fluid properties.
Xiang Zhang   +3 more
wiley   +1 more source

Ion solvation as a predictor of lanthanide adsorption structures and energetics in alumina nanopores

open access: yesCommunications Chemistry, 2023
Adsorption reactions at solid-water interfaces define elemental fate and transport and enable contaminant clean-up, water purification, and chemical separations.
Anastasia G. Ilgen   +3 more
doaj   +1 more source

Impedance of Nonelectroneutral Solid Electrolyte Interphases With Nanopores: A Theoretical Model

open access: yesAdvanced Science, EarlyView.
Physical modeling reveals that often‐neglected non‐electroneutrality and nanopores in the solid‐electrolyte interphase (SEI) govern the impedance behavior. Under nonreactive conditions, the low‐frequency constant‐phase element (CPE) phenomenon can be attributed to the nonelectroneutral local conditions in the SEI.
Chenkun Li, Jun Huang
wiley   +1 more source

Neural Network Predicts Ion Concentration Profiles under Nanoconfinement [PDF]

open access: yes, 2023
Modeling the ion concentration profile in nanochannel plays an important role in understanding the electrical double layer and electroosmotic flow. Due to the non-negligible surface interaction and the effect of discrete solvent molecules, molecular ...
Farimani, Amir Barati   +3 more
core   +2 more sources

RETRACTED: Capacitive Behavior of Aqueous Electrical Double Layer Based on Dipole Dimer Water Model

open access: yesNanomaterials, 2022
The aim of the present paper is to investigate the possibility of using the dipole dimer as water model in describing the electrical double layer capacitor capacitance behaviors. Several points are confirmed.
Songming Yang, Youer Deng, Shiqi Zhou
doaj   +1 more source

Supramolecular Assembly of Stepped‐Persistent ROS Nanogenerator for Sustained Tumor Immunotherapy

open access: yesAdvanced Science, EarlyView.
ROS catalytic systems often fail to achieve both effective tumor elimination and persistent immune activation due to their monotonous ROS production profiles. A stepped‐persistent ROS nanogenerator was developed by supramolecularly assembling multiple ROS generation modules within a nanofiber structure to simultaneously extend ROS generation duration ...
Zhenqiang Wang   +10 more
wiley   +1 more source

Chemistry under graphene cover: intercalation reactions and nanoconfinement effects [PDF]

open access: yes, 2012
Chemistry under graphene cover: intercalation reactions and nanoconfinement ...
包信和   +5 more
core  

Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

open access: yesNature Communications
The intricate hydrogen-bonded network of water gives rise to various structures with anomalous properties at different thermodynamic conditions. Nanoconfinement can further modify the water structure and properties, and induce specific water motifs ...
Aran Lamaire   +5 more
doaj   +1 more source

A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media

open access: yesScientific Data, 2022
Measurement(s) Permeability • Conductivity • porosity • Nanoconfinement Effects • Tortuosity Technology Type(s) Lattice-Boltzmann Simulations • Direct 3D simulations • Image Analysis Factor Type(s ...
Javier E. Santos   +8 more
doaj   +1 more source

Electrolyte Confinement Enables a Continuous Transition From Battery‐Like to Capacitor‐Like Na+ Storage via Solvent Co‐Intercalation

open access: yesAdvanced Energy Materials, EarlyView.
Layered titanates with expanded interlayer galleries reveal how nanoconfinement and electrolyte solvation control Na+ storage kinetics. In diglyme electrolyte, solvent co‐intercalation and strongly reduced interfacial impedance enable increasingly capacitor‐like behavior with increasing interlayer spacing, whereas carbonate electrolytes form resistive ...
Yoga Trianzar Malik   +11 more
wiley   +1 more source

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