Publication

Optical absorption of small copper clusters in neon: Cu-n, (n=1-9)

Publications associées (29)

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

EPFL2023

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

Jiri Vanicek, Yannick Calvino Alonso, Eriks Kletnieks

Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...

2023

Brown carbon absorption in the Mediterranean basin from local and long-range transported biomass burning air masses

Athanasios Nenes

This study examines the impact of light absorption from biomass burning (BB) brown carbon (BrC) in the Mediterranean basin from local and distant fire incidents during a typical fire season in August 2019 and under severe fire activity in August 2021. The ...

Elsevier2023

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023

Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy

Rainer Beck, Mateusz Suchodol, Harmina Vejayan

The presence of chemisorbed oxygen on the Cu(111) surface is known to strongly reduce the activation barrier for water dissociation as compared to bare Cu(111). Here, we present direct experimental evidence for the hydrogen abstraction mechanism responsibl ...

2023

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

Data for "Ultrafast deep-ultraviolet study of photoexcited aqueous Ferrioxalate"

Majed Chergui, Christoph Bostedt, Michele Puppin, Malte Oppermann, Hui-Yuan Chen

Data repository for the following publication: A. Duque-Prata*, H.-Y. Chen*, L. Müller, M. Oppermann, M. Puppin, C. Serpa, C. Bostedt and M. Chergui, “Ultrafast deep-ultraviolet study of photoexcited aqueous Ferrioxalate”, submitted to ChemPhotoCh ...

Zenodo2023

Endogenous Energy Efficiency Improvement in Housing and Cement Sectors in Switzerland

Sergey Arzoyan

The reduction of energy consumption in the residential building stock and cement industry is a substantial component of the Swiss Energy Strategy 2050. Therefore, it is vital to identify the potential for EEI in these two sectors. In this study, a new meth ...

EPFL2023

Euclid preparation XXX. Performance assessment of the NISP red grism through spectroscopic simulations for the wide and deep surveys

Frédéric Courbin, Georges Meylan, Gianluca Castignani, Michaela Hirschmann, Maurizio Martinelli, Yi Wang, Richard Massey, Fabio Finelli, Marcello Farina

This work focusses on the pilot run of a simulation campaign aimed at investigating the spectroscopic capabilities of the Euclid NearInfrared Spectrometer and Photometer (NISP), in terms of continuum and emission line detection in the context of galaxy evo ...

EDP SCIENCES S A2023

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