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Surface Structure of Sodium Dodecyl Sulfate Surfactant and Oil at the Oil-in-Water Droplet Liquid/Liquid Interface: A Manifestation of a Nonequilibrium Surface State

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Publications associées (46)

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Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Harmina Vejayan

In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...

EPFL2023

Optical Spatial Dispersion Via Wannier Interpolation

Stepan Tsirkin

We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at first order in the wave vector of light. This approach is more efficient than di ...

AMER PHYSICAL SOC2025

Modulating the Surface Properties of Lithium Niobate Nanoparticles by Multifunctional Coatings Using Water-in-Oil Microemulsions

Sandrine Gerber, Alessandra Spada, Adrian Stefan Gheata

Inorganic nanoparticles (NPs) have emerged as promising tools in biomedical applications, owing to their inherent physicochemical properties and their ease of functionalization. In all potential applications, the surface functionalization strategy is a key ...

2023

Molecular insights into the electrical double layer of colloidal oxide particles obtained through second harmonic scattering

Marie Bischoff

Photocatalytic applications play an essential role in the search for alternative energy sources and environmental decontamination techniques. It is of fundamental interest to understand on a molecular level the aqueous solid/liquid interface, where photoca ...

EPFL2022

Spectroscopy and dynamics at liquid water interfaces

Bruno Credidio

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

EPFL2022

Effects of surface wettability on (001)-WO3 and (100)-WSe2: A spin-polarized DFT-MD study

Kevin Sivula

An extensive understanding of WO3 and WSe2 bulk crystalline structures and explicit solvent effects on (001)-WO3 and (100)-WSe2 facets are essential for design of efficient (photo) electrocatalysts. The atomistic level understanding of both WO(3 )and WSe2 ...

ELSEVIER2022

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

The concept of axial weak twins

Cyril Cayron

It is generally assumed that the parent-twin interface is a fully invariant plane. The calculations of the rational interfaces of the type I twins and irrational interfaces of the type II twins are based on this hypothesis. Recently, some asymmetric facets ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Electrokinetic, electrochemical, and electrostatic surface potentials of the pristine water liquid-vapor interface

Philip Robin Loche

Although conceptually simple, the air-water interface displays rich behavior and is subject to intense experimental and theoretical investigations. Different definitions of the electrostatic surface potential as well as different calculation methods, each ...

AIP Publishing2022

Disorder-induced electronic, magnetic, and optoelectronic properties of two-dimensional materials

Cheol Yeon Cheon

Technological advancement has been in cadence with material development by improving the purity of single crystals and, at the same time, controlling their imperfections. These capabilities have been especially vital for developing new technolo-gies based ...

EPFL2022

Interactive Digital Engagement With Visual Artworks and Cultural Artefacts Enhances User Aesthetic Experiences in the Laboratory and Museum

Martin Vetterli, Christine Mohr, Loïc Arnaud Baboulaz

Digital technologies reshape the way we interact with our environment, including with artworks. Advanced computational imaging solutions allow having extremely high-resolution digital reproductions of artworks outside museums, presumably increasing artwork ...

TAYLOR & FRANCIS INC2022

SporTran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series

Loris Ercole

SporTran is a Python utility designed to estimate generic transport coefficients in extended systems, based on the Green-Kubo theory of linear response and the recently introduced cepstral analysis of the current time series generated by molecular dynamics ...

ELSEVIER2022

Charge transfer across C-H center dot center dot center dot O hydrogen bonds stabilizes oil droplets in water

Sylvie Roke, Saranya Pullanchery Sankara Narayanan, Sergey Kulik, Benjamin Rehl

The hydrophobic-water interface plays a key role in biological interactions. However, both the hydrophobic-water interfacial molecular structure and the origin of the negative zeta potential of hydrophobic droplets in water are heavily contested. We report ...

American Association for the Advancement of Science2021

A Versatile Approach to Stabilize Liquid-Liquid Interfaces using Surfactant Self-Assembly

Julian Charles Shillcock

Stabilizing liquid-liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. In this study, a versatile approach for stabilizing the w ...

Wiley-V C H Verlag Gmbh2024

Cu/Metal Oxide Hybrid Nanocrystals as Electrocatalysts for the CO2 Reduction Reaction

Seyedehbehnaz Varandili

The electrochemical CO2 reduction reaction (CO2RR) is envisioned to play a significant role in achieving carbon neutrality while contributing to storing renewable energies. Cu-based materials are among the most promising electrocatalysts. However, 16 diffe ...

EPFL2021

Computer Simulation of the Surface of Aqueous Ionic and Surfactant Solutions

Mária Lbadaoui-Darvas

The surface of aqueous solutions of simple salts was not the main focus of scientific attention for a long while. Considerable interest in studying such systems has only emerged in the past two decades, following the pioneering finding that large halide io ...

AMER CHEMICAL SOC2022

Mobility Gaps of Hydrogenated Amorphous Silicon Related to Hydrogen Concentration and Its Influence on Electrical Performance

Nicolas Würsch, Jonathan Emanuel Thomet, Sylvain Dunand

This paper presents a comprehensive study of hydrogenated amorphous silicon (a-Si)-based detectors, utilizing electrical characterization, Raman spectroscopy, photoemission, and inverse photoemission techniques. The unique properties of a-Si have sparked i ...

2024

Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface

Frédéric Célerse

Following our previous work (Chem. Sci. 2021, 12, 4889-4907), we study the structural dynamics of the SARS-CoV-2 Main Protease dimerization interface (apo dimer) by means of microsecond adaptive sampling molecular dynamics simulations (50 mu s) using the A ...

AMER CHEMICAL SOC2021

Nanocavities for Molecular Optomechanics: Their Fundamental Description and Applications

Christophe Marcel Georges Galland

Vibrational Raman scattering-a process where light exchanges energy with a molecular vibration through inelastic scattering-is most fundamentally described in a quantum framework where both light and vibration are quantized. When the Raman scatterer is emb ...

AMER CHEMICAL SOC2024

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Clément Marie Soulard

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

EPFL2024