Publication

Infrared spectra at surfaces and interfaces from first principles: Evolution of the spectra across the Si(100)-SiO2 interface

Publications associées (31)

Hybrid lithium niobate-on-silicon nitride platform for mid-IR supercontinuum generation

Integrated optics has shown itself very convenient for exploiting nonlinear processes as it results in high confinement factor, freedom of dispersion engineering and compactness. However, the choice of materials is crucial for the development of nonlinear ...

SPIE-INT SOC OPTICAL ENGINEERING2023

Optical and mid-infrared line emission in nearby Seyfert galaxies

Michaela Hirschmann

Line ratio diagnostics provide valuable clues as to the source of ionizing radiation in galaxies with intense black hole accretion and starbursting events, such as local Seyfert galaxies or galaxies at the peak of their star formation history. We aim to pr ...

2023

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

Andrei Zviagin

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

Quantum state-resolved methane scattering from Ni(111) and NiO(111) by bolometer infrared laser tagging: The effect of surface oxidation

Rainer Beck, Bo-Jung Chen, Patrick Floss, Christopher Scott Reilly

We describe a novel UHV state-to-state molecule/surface scattering apparatus with quan- tum state preparation of the incident molecular beam and angle-resolved quantum state detection of the scattered molecules. State resolved detection is accomplished usi ...

2023

Polydimethylsiloxane based soft polymer optical fibers: From the processing-property relationship to pressure sensing applications

Fabien Sorin, Khushdeep Sharma, René M. Rossi

Polydimethylsiloxane (PDMS) based soft polymer optical fibers (POFs) have recently demonstrated their intriguing potential for different sensing applications like strain or temperature sensing. Recent studies have elaborated on the sensing capability of PD ...

2023

Interfacial Inversion, Interference, and IR Absorption in Vibrational Sum Frequency Scattering Experiments

Sylvie Roke, Saranya Pullanchery Sankara Narayanan, Lei Zhang, Sergey Kulik

Molecular interfacial structure greatly determines thepropertiesof nano- and microscale systems. Vibrational sum frequency scattering(SFS) spectroscopy is a unique interface-selective tool to measurethe interfacial vibrational spectrum of sub-micron to mic ...

AMER CHEMICAL SOC2023

Secondary Structures of MERS-CoV, SARS-CoV, and SARS-CoV-2 Spike Proteins Revealed by Infrared Vibrational Spectroscopy

Marta Di Fabrizio

All coronaviruses are characterized by spike glycoproteins whose S1 subunits contain the receptor binding domain (RBD). The RBD anchors the virus to the host cellular membrane to regulate the virus transmissibility and infectious process. Although the prot ...

MDPI2023

Combining ion mobility spectrometry and cryogenic ion spectroscopy with enzymatic digestion/synthesis for the study of N-linked glycans

Irina Märki

Glycans play an essential role in numerous physiological and pathological processes of living organisms. Despite their significant biological relevance, glycobiology remains one of the least explored fields of biochemistry. The intrinsic isomeric complexit ...

EPFL2023

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

Rainer Beck, Harmina Vejayan, Mateusz Suchodol

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

Symmetry and Rigidity for Boosting Erbium-Based Molecular Light-Upconversion in Solution

Jean-Claude Bünzli, Alexandre Fürstenberg

Previously limited to highly symmetrical homoleptic triple-helical complexes [Er(Lk)3]3+, where Lk are polyaromatic tridentate ligands, single-center molecular-based upconversion using linear optics and exploiting the excited-state absorption mechanism (ES ...

Wiley-VCH Verlag GmbH2023

Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion

Lorenzo Monacelli

The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...

AMER PHYSICAL SOC2023