Multiscale modeling of aqueous electric double layers

M Becker, P Loche, M Rezaei, A Wolde-Kidan… - Chemical …, 2023 - ACS Publications
From the stability of colloidal suspensions to the charging of electrodes, electric double
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …

Cation modifies interfacial water structures on platinum during alkaline hydrogen electrocatalysis

P Xu, R Wang, H Zhang, V Carnevale… - Journal of the …, 2024 - ACS Publications
The molecular details of an electrocatalytic interface play an essential role in the production
of sustainable fuels and value-added chemicals. Many electrochemical reactions exhibit …

Investigation on the effect of metal cation radius on montmorillonite hydration: Combining experiments with molecular dynamics simulation

M Liu, H Guo, J Luo, X Gui, Y **ng, Y Cao - Separation and Purification …, 2025 - Elsevier
Colloidal suspension stability is vitally important in industries, including wastewater
treatment and mineral purification, and is greatly affected by electrostatic interaction and …

Determination of the thickness of interfacial water by time-resolved sum-frequency generation vibrational spectroscopy

J Tan, M Wang, J Zhang, S Ye - Langmuir, 2023 - ACS Publications
The physics and chemistry of a charged interface are governed by the structure of the
electrical double layer (EDL). Determination of the interfacial water thickness (d iw) of the …

[HTML][HTML] Cobalt adsorption by Ca (OH) 2 Modified quartz rock particles adsorbent: Equilibrium isotherm, kinetics, and thermodynamic studies

FA Rasheed, M Sillanpää, M Moradi - Desalination and Water Treatment, 2024 - Elsevier
The presence of cobalt ions Co (II) in wastewater poses major threats to both humans and
the environment. The effectiveness of the adsorption of modified quartz rock particles …

Osmolyte-Induced Modulation of Hofmeister Series

S Sarkar, A Guha, TN Narayanan… - The Journal of Physical …, 2024 - ACS Publications
Natural selection has driven the convergence toward a selected set of osmolytes, endowing
them with the necessary efficiency to manage stress arising from salt diversity. This study …

Separating Hofmeister trends in Stern and diffuse layers at a charged interface

N Tetteh, S Parshotam, JM Gibbs - The Journal of Physical …, 2024 - ACS Publications
Understanding the role of pH and ions on the electrical double layer (EDL) at charged
mineral oxide/aqueous interfaces remains crucial in modeling environmental and industrial …

Unravelling the Mechanism behind Charge Reversal at Silica Nanoparticle–Model Cell Membrane Interfaces

P Gahtori, A Mishra, SR Varanasi… - The Journal of Physical …, 2023 - ACS Publications
Vibrational sum frequency generation spectroscopy is used to understand the interactions of
silica nanoparticles (SNPs) with a model cationic membrane (1, 2-dipalmitoyl-3 …

Probing the Influence of Hydrophobicity of Modified Gold Nanoparticles in Modulating the Lipid Surface Behavior Using Vibrational Sum Frequency Generation …

P Gahtori, V Gunwant, R Pandey - Langmuir, 2024 - ACS Publications
A deep understanding of how the surface modifications of nanoparticles impact their
interactions with cell membranes is vital for advancing safe and effective biomedical …

[HTML][HTML] Lead (II) ions enable the ion-specific effects of monovalent anions on the molecular structure and interactions at silica/aqueous interfaces

F Raji, NN Nguyen, CV Nguyen, AV Nguyen - Journal of Colloid and …, 2024 - Elsevier
Hypothesis The adsorption of heavy metal ions such as Pb (II) onto negatively charged
minerals such as silica is expected to alter the structure and the interactions at the …