Publications associées à Dipole Moment of Water in Highly Vibrationally Excited States: Analysis of Photofragment Quantum-Beat Spectroscopy Measurements Using a Local-Mode Hamiltonian

Ion Spectroscopy Reveals Structural Difference for Proteins Microhydrated by Retention and Condensation of Water

Protein ubiquitin in its +7 charge state microhydrated by 5 and 10 water molecules has been interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed either by condensing water onto the unfolded bare proteins in a temperature- ...

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

Toward Wearable Biosensing by Spectroscopy-free Raman Shift Detection and Soft Optofluidics

Ata Jedari Golparvar

This thesis introduces spectroscopy-free Raman biosensing, which may find increasing use in the next generation of wearable devices for preventive healthcare. While wearables have made substantial advancements in detecting physical biomarkers, they have ye ...

EPFL2024

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

Photoinduced Second-Order Nonlinearities in Centrosymmetric Media

Ozan Yakar

The interaction of light and matter enables nonlinear frequency conversion and the creation of coherent currents. The optical control of electric currents is of fundamental relevance and prominent research focus in the last decades. These photocurrents ena ...

EPFL2024

Applications of the thawed Gaussian approximation to electronic spectroscopy

Eriks Kletnieks

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

EPFL2024

Large impact of phonon lineshapes on the superconductivity of solid hydrogen

Lorenzo Monacelli

Phonon anharmonicity plays a crucial role in determining the stability and vibrational properties of high-pressure hydrides. Furthermore, strong anharmonicity can render phonon quasiparticle picture obsolete questioning standard approaches for modeling sup ...

Nature Portfolio2024

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

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

Charging and Electric Field Effects on Hydrogen Molecules Physisorbed on Graphene

Klaus Kern, Shai Mangel, Alessio Scavuzzo, Tobias Wollandt

Molecular hydrogen adsorbed on graphene was investigated by analyzing rotational excitation spectra obtained with a gate-tunable scanning tunneling microscope (STM). Through the shift of the rotational excitation energy, the tunability of physisorbed H2 on ...

AMER CHEMICAL SOC2023

Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction

Felipe Herrera, Hatice Altug, Aurélian Michel John-Herpin

Many photonic and electronic molecular properties, as well as chemical and biochemical reactivities are controlled by fast intramolecular vibrational energy redistribution (IVR). This fundamental ultrafast process limits coherence time in applications from ...

National Academy of Sciences2023

Universal machine learning for the response of atomistic systems to external fields

Yaolong Zhang

Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...

Nature Portfolio2023

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

Reconfigurable nonreciprocal excitation of propagating exchange spin waves in perpendicularly magnetized yttrium iron garnet thin films

Jean-Philippe Ansermet, Haiming Yu, Peng Chen, Jilei Chen, Jinlong Wang, Tao Liu, Rundong Yuan, Yu Zhang

We report the nonreciprocal excitation of propagating forward volume exchange spin waves in yttrium iron garnet (YIG) thin film with perpendicular anisotropy by bringing the in-plane magnetization of Co20Fe60B20 (CoFeB) nanowires to resonance. All-electric ...

Amer Physical Soc2023

Highly Strained Oxygen‐Doped Chiral Molecular Belts of the Zigzag‐Type with Strong Circularly Polarized Luminescence

Jieping Zhu, Shuo Tong

Herein we report a two-directional cyclization strategy for the synthesis of highly strained depth- expanded oxygen-doped chiral molecular belts of the zigzag-type. From the easily accessible resorcin[4]arenes, an unprecedented cyclization cascade generati ...

Wiley-VCH Verlag GmbH2023

Vibrational NDT with Under-sampled Data through Physics-informed Neural Networks

Olga Fink

The vibrational response of solid materials and structural components is substantially governed by their mechanical and geometrical properties. Low-frequency vibrations and modal frequencies are sensitive to global geometrical deviations, while high-freque ...

2023

Spin wave dispersion of ultra-low damping hematite (α-Fe2O3) at GHz frequencies

Dirk Grundler, Ferdinand Rémy Hynek Posva, Mohammad Hamdi

Raw data associated to the manuscript ‘’Spin wave dispersion of ultra-low damping hematite (α-Fe2O3) at GHz frequencies‘’, Physical Review Materials 7, 054407(2023); doi: 10.1103/PhysRevMaterials.7.054407 Information about file fo ...

Zenodo2023

Spin wave dispersion of ultra-low damping hematite ( α−Fe2O3 ) at GHz frequencies

Dirk Grundler, Ferdinand Rémy Hynek Posva, Mohammad Hamdi

Low magnetic damping and high group velocity of spin waves (SWs) or magnons are two crucial parameters for functional magnonic devices. Magnonics research on signal processing and wave-based computation at GHz frequencies focused on the artificial ferrimag ...

2023

Five-Membered Rings Create Off-Zero Modes in Nanographene

Oleg Yazyev, Kristians Cernevics, Ziyi Wang

The low-energy electronic structure of nanographenes can be tuned through zero-energy pi-electron states, typically referred to as zero-modes. Customizable electronic and magnetic structures have been engineered by coupling zero-modes through exchange and ...

Amer Chemical Soc2023

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