Publications related to Physical chemistry

Augmenting large language models with chemistry tools

Philippe Schwaller, Oliver Tobias Schilter, Andres Camilo Marulanda Bran, Carlo Baldassari

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

Roughness Evolution Induced by Third-Body Wear

Jean-François Molinari, Tobias Brink, Antonio Joaquin Garcia Suarez

Surface roughness is a key factor when it comes to friction and wear, as well as to other physical properties. These phenomena are controlled by mechanisms acting at small scales, in which the topography of apparently flat surfaces is revealed. Roughness i ...

2024

Long live(d) CsPbBr3 superlattices: colloidal atomic layer deposition for structural stability

Raffaella Buonsanti, Alexander Nicolas Chen, Philippe Benjamin Green, Victoria Lapointe

Superlattice formation afforded by metal halide perovskite nanocrystals has been a phenomenon of interest due to the high structural order induced in these self-assemblies, an order that is influenced by the surface chemistry and particle morphology of the ...

Royal Soc Chemistry2024

Hybrid organic/metal-oxide shells on semiconductor nanocrystals via colloidal atomic layer deposition

Ona Segura Lecina

The escalating energy demand and the imperative necessity to reduce the carbon footprint require transformative approaches to energy conversion. Materials chemistry plays a pivotal role in addressing these global challenges by developing novel materials fo ...

EPFL2024

Voltage-driven Chemical Reactions Enable the Synthesis of Tunable Liquid Ga – Metal Nanoparticles

Raffaella Buonsanti, Anna Loiudice, Pascal Alexander Schouwink, Krishna Kumar, Coline Marie Agathe Boulanger, Valery Okatenko, Alexander Nicolas Chen

Nanosized particles of liquid metals are emerging materials which hold promise for applications spanning from microelectronics to catalysis. Yet, the knowledge of their chemical reactivity is largely unknown. Here, we study the reactivity of liquid Ga and ...

2023

Controlled Electronic and Magnetic Landscape in Self-Assembled Complex Oxide Heterostructures

Mihai Adrian Ionescu, Paul Muralt, Kanghyun Chu, Daesung Park

Complex oxide heterointerfaces contain a rich playground of novel physical properties and functionalities, which give rise to emerging technologies. Among designing and controlling the functional properties of complex oxide film heterostructures, verticall ...

Wiley-V C H Verlag Gmbh2023

Extreme Spatial Dispersion in Nonlocally Resonant Elastic Metamaterials

Romain Christophe Rémy Fleury, Aleksi Antoine Bossart

To date, the vast majority of architected materials have leveraged two physical principles to control wave behavior, namely, Bragg interference and local resonances. Here, we describe a third path: structures that accommodate a finite number of delocalized ...

2023

Surface Chemistry Dictates the Enhancement of Luminescence and Stability of InP QDs upon c-ALD ZnO Hybrid Shell Growth

Raffaella Buonsanti, Anna Loiudice, Petru Pasquale Albertini, Jari Leemans, Dragos-Constantin Stoian, Mark Adrian Newton, Ona Segura Lecina, Philippe Benjamin Green

Indium phosphide quantum dots (InP QDs) are a promising example of Restriction of Hazardous Substances directive (RoHS)-compliant light-emitting materials. However, they suffer from low quantum yield and instability upon processing under ambient conditions ...

Amer Chemical Soc2023

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

Manuel Cordova

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023

Influence of the molecular weight and physical properties of a thermoplastic polymer on its dynamic wetting behavior

Valentin Rougier

The wetting dynamics of molten thermoplastic polymers, which are known to influence the force balance of the triple line, are not understood properly despite their importance in many industrial processes. In particular, the influence of the molecular weigh ...

Elsevier2023

Scaling behavior of bedload transport: what if Bagnold was right?

Christophe Ancey

There is a paradox in the relationship between bedload transport rates and flow variables: laboratory and field studies have reported on how bedload transport rates depend on flow variables through a power law, but none of the empirical laws fitted to the ...

2023

Hypervalent Iodine: New Reagents and Functionalization of Peptides

Eliott Hugo Joran Le Du

Alkynes are found in a multitude of natural or synthetic bioactive compounds. In addition to the capacity of these chemical motifs to impact the physicochemical properties of a molecule of interest, the well-established reactivity of alkynes makes them ide ...

EPFL2023

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

Pierrick Berruyer, Moreno Lelli, David Benjamin Roger Antoine Gajan, Zhuoran Wang

The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...

AMER CHEMICAL SOC2022

Visualization, Interactive Handling and Simulation of Molecules in Commodity Augmented Reality in Web Browsers Using moleculARweb's Virtual Modeling Kits

Matteo Dal Peraro, Luciano Andres Abriata, Fabio Jose Cortes Rodriguez, Lucien Fabrice Krapp

moleculARweb (https://molecularweb.epfl.ch) began as a website for education and outreach in chemistry and structural biology through augmented reality (AR) content that runs in the web browsers of regular devices like smartphones, tablets, and computers. ...

SWISS CHEMICAL SOC2022

Modulating the Reactivity of Liquid Ga Nanoparticle Inks by Modifying Their Surface Chemistry

Raffaella Buonsanti, Laia Castilla Amorós, James Richard Pankhurst, Tzu-Chin Chang Chien

Micro- and nanosized particles of liquid metals, particularly Ga-based alloys, are attracting increasing attention for applications in several fields. The surface functionalization of Ga-based nanoparticles (NPs) with organic ligands renders easily process ...

2022

Landing Proteins on Graphene Trampoline Preserves Their Gas-Phase Folding on the Surface

Klaus Kern, Stephan Rauschenbach, Sven Alexander Szilagyi, Hannah Julia Ochner

Molecule-surface collisions are known to initiate dynamics that lead to products inaccessible by thermal chemistry. These collision dynamics, however, have mostly been examined on bulk surfaces, leaving vast opportunities unexplored for molecular collision ...

AMER CHEMICAL SOC2023

A mixture model to take into account diluted gas in liquid flow: applications to aluminium electrolysis

Emile Tryphon Pierre Soutter

Aluminium is a metal sought in the industry because of its various physical properties. It is produced by an electrolysis reduction process in large cells. In these cells, a large electric current goes through the electrolytic bath and the liquid aluminium ...

EPFL2022

Gazebo Fluids: SPH-based simulation of fluid interaction with articulated rigid body dynamics

Auke Ijspeert, Jonathan Patrick Arreguit O'Neill, Wei Wang, Emmanouil Angelidis

Physical simulation is an indispensable component of robotics simulation platforms that serves as the basis for a plethora of research directions. Looking strictly at robotics, the common characteristic of the most popular physics engines, such as ODE, DAR ...

IEEE2022

Transport across thin membranes: Effective solute flux jump

François Gallaire, Pier Giuseppe Ledda, Giuseppe Antonio Zampogna

A model to describe the transport across membranes of chemical species dissolved in an incompressible flow is developed via homogenization. The asymptotic matching between the microscopic and macroscopic solute concentration fields leads to a solute flux j ...

AIP Publishing2022

Galvanic replacement reactions of Ga and In with Cu for the synthesis of bimetallic nanoparticles

Laia Castilla Amorós

The need for efficient and selective catalysts, capable of driving important conversions to build a more sustainable society, encourages the development of synthetic approaches towards new nanomaterials. Cu-based bimetallic nanoparticles (NPs) promise to f ...

EPFL2022