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Determining alloy composition in MoxW(1-x)S2 from low wavenumber Raman spectroscopy

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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

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Carbon K-edge resonant Auger spectra of gas-phase allene following excitation of the pre-edge 1s -> pi* transitions are presented and analysed with the support of EOM-CCSD/cc-pVTZ calculations. X-Ray absorption (XAS), X-ray photoelectron (XPS), valence ban ...

ROYAL SOC CHEMISTRY2023

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

Element- and enantiomer-selective visualization of molecular motion in real-time

Majed Chergui, Malte Oppermann, Jérémy Raymond Jean Maurice Rouxel

Ultrafast optical-domain spectroscopies allow to monitor in real time the motion of nuclei in molecules. Achieving element-selectivity had to await the advent of time resolved X-ray spectroscopy, which is now commonly carried at X-ray free electron lasers. ...

Berlin2023

Monolithic InSb nanostructure photodetectors on Si using rapid melt growth

Anna Fontcuberta i Morral, Nicholas Paul Morgan, Heera Menon

Monolithic integration of InSb on Si could be a key enabler for future electronic and optoelectronic applications. In this work, we report the fabrication of InSb metal-semiconductor-metal photodetectors directly on Si using a CMOS-compatible process known ...

ROYAL SOC CHEMISTRY2023

Carbon K-edge x-ray emission spectroscopy of gas phase ethylenic molecules

Majed Chergui, Camila Bacellar Cases Da Silveira, Rebecca Ann Ingle, Luca Longetti, Thomas Roland Barillot

We report on the C K-edge x-ray absorption spectra and the resonant (RXES) and non-resonant (NXES) x-ray emission spectra of ethylene, allene and butadiene in the gas phase. The RXES and NXES show clear differences for the different molecules. Overall both ...

IOP Publishing Ltd2022

Ultrafast X-ray Spectroscopy of Haem Proteins

Majed Chergui, Camila Bacellar Cases Da Silveira

In this article we revisit our recent picosecond and femtosecond X-ray absorption spectroscopy (XAS) and X-ray emission spectroscopy (XES) experiments, probing the ultrafast electronic and geometric evolution of photoexcited haem proteins, namely ferrous N ...

SWISS CHEMICAL SOC2022

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Surface characterization of plasma-treated seeds has made significant progress over the last decade. Most papers in the literature use scanning electron microscopy (SEM) and contact angle goniometry to investigate surface modifications. However, very few p ...

2021

Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations

Jiri Vanicek, Tomislav Begusic

Understanding light-induced processes in biological and human-made molecular systems is one of the main goals of physical chemistry. It has been known for years that the photoinduced dynamics of atomic nuclei can be studied by looking at the vibrational su ...

2021

Semiconducting self-assembled monolayers (SAMs) represent highly relevant components for the fabrication of organic thin-film electronics because they enable the precise formation of active it-conjugates in terms of orientation and layer thickness. In this ...

AMER CHEMICAL SOC2021