Publications associées à Chlorure

Nanogels with Metal‐Organic Cages as Functional Crosslinks

A dinuclear metal-organic cage with four acrylate side chains was prepared by self-assembly. Precipitation polymerization of the cage with N-isopropylacrylamide yielded a thermoresponsive nanogel. The host properties of the cage were retained within the ge ...

Wiley-VCH Verlag GmbH2024

Photogeneration of Hydrogen: Insights from a Pt(II)-Complex Incorporated into a Covalent Organic Framework

Federico De Biasi, Paolo Costa

Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...

Wiley-VCH Verlag2024

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Sylvain Alexandre Marie Sudan

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

Crystal, defect, and morphology engineering of porous two-dimensional materials for ionic separation

Heng-Yu Chi

Ordered two-dimensional (2D) materials hosting Å-scale pores are highly promising for enabling challenging separation, thanks to well-defined pore geometry resulting in tight confinement of ions when hosted inside the pore. In addition, the 2D nature of th ...

EPFL2024

Synthetic Receptors with Micromolar Affinity for Chloride in Water

Kay Severin, Farzaneh Fadaei Tirani, Damien Wen Chen, Cesare Berton, Sylvain Alexandre Marie Sudan

A water-soluble coordination cage was obtained by reaction of Pd(NO3)2 with a 1,3-di(pyridin-3-yl)benzene ligand featuring a short PEG chain. The cavity of the metal-organic cage contains one nitrate anion, which is readily replaced by chloride. The appare ...

Wiley-VCH Verlag GmbH2023

The influence of the gas on the dynamics of cavitation bubbles

Davide Bernardo Preso

Cavitation bubbles, extensively investigated in fluid mechanics, present enduring challenges in hydraulic machinery, while holding considerable potential for practical applications in biomedicine and sonochemistry. Despite more than a century of research, ...

EPFL2023

Anionic character of the conduction band of sodium chloride

Klaus Kern, Abhishek Grewal

The alkali halides are ionic compounds. Each alkali atom donates an electron to a halogen atom, leading to ions with full shells. The valence band is mainly located on halogen atoms, while, in a traditional picture, the conduction band is mainly located on ...

Nature Portfolio2022

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Philip Robin Loche

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Philip Robin Loche

Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...

AIP Publishing2022

Poisoning of Mn-Ce/AC catalysts for low-temperature NH3-SCR of NO by K+ and its counter-ions (Cl- /NO3- /SO42- )

Oliver Kröcher, Davide Ferri, Rob Jeremiah G. Nuguid, Jie Yang

Mn-Ce/AC catalysts for low-temperature NH3-SCR of NOx were deliberately loaded with various potassium salts (KCl, KNO3, and K2SO4) to investigate the influence of the counter-ions on the poisoning impact. Whereas K salts poisoning had only marginal impact ...

ELSEVIER2022

Nanoscale modelling of ionic transport in the porous C-S-H network

Khalil Ferjaoui

To reduce the CO2 footprint of construction materials, concrete producers blend their cement with Supplementary Cementitious Materials (SCMs). SCMs such as fly ash or blast furnace slag are mostly the byproducts of other industries. And while SCMs are chos ...

EPFL2022

Kinetic and mechanistic understanding of chlorite oxidation during chlorination: Optimization of ClO2 pre-oxidation for disinfection byproduct control

Urs von Gunten, Yun Ho Lee

Chlorine dioxide (ClO2) applications to drinking water are limited by the formation of chlorite (ClO2-) which is regulated in many countries. However, when ClO2 is used as a pre-oxidant, ClO2- can be oxidized by chlorine during subsequent disinfection. In ...

PERGAMON-ELSEVIER SCIENCE LTD2022

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate

David Lyndon Emsley, Karen Scrivener, Paul Bowen, Pierrick Berruyer, Brennan James Walder, Pinelopi Moutzouri, Aslam Kunhi Mohamed, Jirawan Siramanont, Maya Nicole Harris, Mattia Negroni

Despite use of blended cements containing significant amounts of aluminum for over 30 years, the structural nature of aluminum in the main hydration product, calcium aluminate silicate hydrate (C-A-S-H), remains elusive. Using first-principles calculations ...

2020

A General and Facile Approach for the Electrochemical Reduction of Carbon Dioxide Inspired by Deep Eutectic Solvents

Paul Joseph Dyson, Dmitry Vasilyev

Deep eutectic solvents (DESs) were applied to the electrochemical CO2 reduction reaction (CO2RR). Choline-based DESs represent a non-toxic and inexpensive alternative to room-temperature ionic liquids (RTILs) as additives to the system or as electrolyte. F ...

2019

Corncob Biorefinery for Platform Chemicals and Lignin Coproduction: Metal Chlorides as Catalysts

Wu Lan

A facile approach to a corncob biorefinery, focusing on both carbohydrate valorization and lignin stabilization, was proposed to coproduce platform chemicals (glucose, xylose, arabinose, and furfural) and lignin. Different metal chloride prehydrolyses of c ...

AMER CHEMICAL SOC2019

High-Resolution Data Sets Unravel the Effects of Sources and Meteorological Conditions on Nitrate and Its Gas-Particle Partitioning

Athanasios Nenes, Qianyu Zhao, Yan Feng

Nitrate is one of the most abundant inorganic water-soluble ions in fine particulate matter (PM2.5). However, the formation mechanism of nitrate in the ambient atmosphere, especially the impacts of its semivolatility and the various existing forms of nitro ...

2019

Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

Nicola Marzari, Oliviero Andreussi, Francesco Nattino

Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented using localized basis sets of reduced size, leaving no variational flexibility fo ...

AMER CHEMICAL SOC2019

Suppressing Crystallization of Water-in-Salt Electrolytes by Asymmetric Anions Enables Low-Temperature Operation of High-Voltage Aqueous Batteries

Corsin Battaglia, David Reber

The discovery of enhanced electrochemical stability for aqueous electrolytes with very high salt concentration has stimulated the development of high-voltage aqueous batteries. We show that a key factor limiting the applicability of these batteries is the ...

AMER CHEMICAL SOC2019

Surface Characterization of Colloidal Silica Nanoparticles by Second Harmonic Scattering: Quantifying the Surface Potential and Interfacial Water Order

Sylvie Roke, Arianna Marchioro, Cornelis Ulrich Lütgebaucks, Marie Bischoff

The microscopic description of the interface of colloidal particles in solution is essential to understand and predict the stability of these systems, as well as their chemical and electrochemical reactivity. However, this description often relies on the u ...

2019

Reduction of Fermi level pinning at Cu-BP interfaces by atomic passivation

Xiao Zhou, Cheng Chen, Pengfei Ou

Black phosphorus (BP) is a semiconducting material with a direct finite band gap in its monolayer, attracting intense attention for its application in field-effect transistors. However, strong Fermi level pinning (FLP) has been observed for contacts betwee ...

2019