Publications de Thomas Roland Barillot

Deconvolution of the X-ray absorption spectrum of trans-1,3-butadiene with resonant Auger spectroscopy

Majed Chergui, Camila Bacellar Cases Da Silveira, Luca Longetti, Thomas Roland Barillot, Ludmila Maria Diniz Leroy

High-resolution carbon K-edge X-ray photoelectron, X-ray absorption, non-resonant and resonant Auger spectra are presented of gas phase trans-1,3-butadiene alongside a detailed theoretical analysis utilising nuclear ensemble approaches and vibronic models ...

Royal Soc Chemistry2024

Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene

Majed Chergui, Camila Bacellar Cases Da Silveira, Luca Longetti, Rebecca Ann Ingle, Ludmila Maria Diniz Leroy, Thomas Roland Barillot, Daniel Hollas

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

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 Publishing2022

Two-dimensional correlation analysis for x-ray photoelectron spectroscopy

Christoph Bostedt, Andre Al Haddad, Thomas Roland Barillot

X-ray photoelectron spectroscopy (XPS) measures the binding energy of core-level electrons, which are well-localised to specific atomic sites in a molecular system, providing valuable information on the local chemical environment. The technique relies on m ...

IOP Publishing2021

Ultrafast photoelectron spectroscopy of photoexcited aqueous ferrioxalate

Majed Chergui, Michele Puppin, Frank van Mourik, Christopher Alexander Arrell, José Javier Pancracio Ojeda Andara, Luca Longetti, Thomas Roland Barillot

The photochemistry of metal-organic compounds in solution is determined by both intra- and inter-molecular relaxation processes after photoexcitation. Understanding its prime mechanisms is crucial to optimise the reactive paths and control their outcome. H ...

2021

Evidence of Large Polarons in Photoemission Band Mapping of the Perovskite Semiconductor CsPbBr3

Majed Chergui, Nicola Marzari, Marco Grioni, Nicola Colonna, Michele Puppin, Matthias Wolf, Alberto Crepaldi, Gianmarco Gatti, Serhii Polishchuk, Thomas Roland Barillot

Lead-halide perovskite (LHP) semiconductors are emergent optoelectronic materials with outstanding transport properties which are not yet fully understood. We find signatures of large polaron formation in the electronic structure of the inorganic LHP CsPbB ...

AMER PHYSICAL SOC2020