A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and SO42− in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

IM Zeron, JLF Abascal, C Vega - The Journal of chemical physics, 2019 - pubs.aip.org
In this work, a force field for several ions in water is proposed. In particular, we consider the
cations Li+, Na+, K+, Mg 2+, and Ca 2+ and the anions Cl− and SO 4 2−⁠. These ions were …

An Ultrahigh Performance Zinc‐Organic Battery using Poly(catechol) Cathode in Zn(TFSI)2‐Based Concentrated Aqueous Electrolytes

N Patil, C de la Cruz, D Ciurduc… - Advanced Energy …, 2021 - Wiley Online Library
Aqueous zinc‐metal batteries (AZMBs) are predicted to be an attractive solutions for viable,
high‐performance, and large‐scale energy storage applications, but their advancement is …

Urea-functionalized crystalline capsules for recognition and separation of tetrahedral oxoanions

R Custelcean - Chemical Communications, 2013 - pubs.rsc.org
The persistent ability of tripodal TREN-based tris-urea receptors (TREN= tris (2-aminoethyl)
amine) to self-assemble with a variety of oxoanions into dimeric capsules upon …

Oxidation by reduction: efficient and selective oxidation of alcohols by the electrocatalytic reduction of peroxydisulfate

S Hosseini, JN Janusz, M Tanwar… - Journal of the …, 2022 - ACS Publications
Alcohol oxidation is an important class of reaction that is traditionally performed under harsh
conditions and most often requires the use of organometallic compounds or transition metal …

Aqueous charge injection: solvation bonding dynamics, molecular nonbond interactions, and extraordinary solute capabilities

CQ Sun - International Reviews in Physical Chemistry, 2018 - Taylor & Francis
Aqueous charge injection in forms of electrons, protons, lone pairs, ions, and molecular
dipoles by solvation is ubiquitously important to our health and life. Pursuing fine-resolution …

Salt-induced liquid–liquid phase separation: Combined experimental and theoretical investigation of water–acetonitrile–salt mixtures

M Li, B Zhuang, Y Lu, L An… - Journal of the American …, 2021 - ACS Publications
Salt-induced liquid–liquid phase separation in liquid mixtures is a common phenomenon in
nature and in various applications, such as in separation and extraction of chemicals. Here …

A case for molecular recognition in nuclear separations: sulfate separation from nuclear wastes

BA Moyer, R Custelcean, BP Hay, JL Sessler… - Inorganic …, 2013 - ACS Publications
In this paper, we present the case for molecular-recognition approaches for sulfate removal
from radioactive wastes via the use of anion-sequestering systems selective for sulfate …

Structure of sulfate adsorption complexes on ferrihydrite

M Zhu, P Northrup, C Shi, SJL Billinge… - … & Technology Letters, 2014 - ACS Publications
Sulfate adsorption on mineral surfaces is an important environmental chemical process.
However, the structure of sulfate adsorption complexes has remained uncertain. In this …

Selenite uptake by Ca–Al LDH: a description of intercalated anion coordination geometries

B Ma, A Fernandez-Martinez, S Grangeon… - … science & technology, 2018 - ACS Publications
Layered double hydroxides (LDHs) are anion exchangers with a strong potential to
scavenge anionic contaminants in aquatic environments. Here, the uptake of selenite …

Tailoring electrode/electrolyte interfacial properties in flexible supercapacitors by applying pressure

C Masarapu, LP Wang, X Li… - Advanced Energy Materials, 2012 - Wiley Online Library
Electrode/electrolyte interfacial properties of flexible supercapacitors assembled with
nanostructured activated carbon fabric (ACF) electrodes can be tailored by applying a …