Publication

Anionic character of the conduction band of sodium chloride

Publications associées (48)

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 ...

2024

, , , ,

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 ...

Wiley2023

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

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Abhishek Grewal

This thesis investigates novel single-molecule luminescence phenomena at their inherent, sub-molecular length scale. The microscopic understanding of luminescence processes will be crucial for the continued improvement of organic optoelectronic and semicon ...

EPFL2022

High Aspect Ratio Au Microflakes via Gap-Assisted Synthesis

Giulia Tagliabue, Fateme Kiani Shahvandi

Ultrathin and extra-large single-crystalline Au microflakes (Au MFs) have a huge potential in applications ranging from nanophotonics to catalysis. Yet, wet chemical synthesis approaches cannot access this size range due to the proportionality between grow ...

AMER CHEMICAL SOC2022

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

Geochemistry, geothermometry and influence of the concentration of mobile elements in the chemical characteristics of carbonate-evaporitic thermal systems. The case of the Tiermas geothermal system (Spain)

The Tiermas low temperature geothermal system, hosted in the Paleocene-Eocene carbonates of the Jaca-Pamplona basin, has been studied to evaluate the geochemistry and the temperature of the waters in the deep reservoir. These waters are of chloride-sodium ...

Elsevier Science Bv2017

Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure

Ursula Röthlisberger, Simone Meloni, Giulia Palermo, Amir Hesam Salavati, Negar Ashari Astani

Effective masses are calculated for a large variety of perovskites of the form ABX(3) differing in chemical composition (A= Na, Li, Cs; B = Pb, Sn; X= Cl, Br, I) and crystal structure. In addition, the effects of some defects and dopants are assessed. We s ...

2017

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Alfredo Pasquarello, Assil Bouzid

We show that constant-Fermi-level ab initio molecular dynamics can be used as a computer-based tool to reveal and control relevant defects in semiconductor materials. In this scheme, the Fermi level can be set at any position within the band gap during the ...

Amer Physical Soc2017

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