Publication

Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids

Publications associées (36)

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Ultrafast carrier and quasiparticle dynamics in strongly confined perovskite nanoplatelets

Etienne Christophe Socie

Over the past decade, lead halide perovskites (LHPs) have received considerable attention thanks to their impressive optoelectronic properties. Today, LHP-based devices are one of the most efficient single-junction solar cells, with power-conversion effici ...

EPFL2022

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Detachment, an important mechanism for reducing target heat deposition, is achieved through reductions in power, particle and momentum; which are induced through plasma-atom and plasma-molecule interactions. Experimental research in how those reactions pre ...

IOP PUBLISHING LTD2021

Investigating molecular excitations with femtosecond time resolution is of pivotal importance to understand the out-of-equilibrium processes taking place in molecular systems upon light absorption. The photochemistry of solvated species is heavily determin ...

EPFL2020

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Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key ingredient of co ...

AMER CHEMICAL SOC2019

Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

Vladimir Kopysov, Oleg Boyarkine, Aleksandr Pereverzev, Robert Benny Gerber

The intrinsic structure of an opioid peptide [Ala2, Leu5]-leucine enkephalin (ALE) has been investigated using first-principles based vibrational self-consistent field (VSCF) theory and cold ion spectroscopy. IR-UV double resonance spectroscopy revealed th ...

2018

Tris-heteroleptic Iridium Complexes Based on Cyclometalated Ligands with Different Cores

Ivano Tavernelli, Yanouk Cudré

A series of tris-heteroleptic iridium complexes of the form [Ir(CN-1)(CN-2)(acac)] combining 2-phenyl pyridine (ppy), 2-(2,4-difluorophenyl)pyridine (dFppy), 1-phenylpyrazole (ppz), and 1-(2,4-difluorophenyl)pyrazole (dFppz) as the CAN ligands have b ...

Amer Chemical Soc2017

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

Ursula Röthlisberger, Jiri Vanicek, Swarnendu Bhattacharyya, Sergey Antipov

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quant ...

2017

H- ion source for CERN's Linac4 accelerator

Stefano Mattei

Linac4 is the new negative hydrogen ion (H-) linear accelerator of the European Organization for Nuclear Research (CERN). Its ion source operates on the principle of Radio-Frequency Inductively Coupled Plasma (RF-ICP) and it is required to provide 50 mA of ...

EPFL2017

A Theoretical Rationalisation of the Emission Properties of Prototypical Cu(I)-Phenanthroline Complexes

Ursula Röthlisberger, Ivano Tavernelli, Thomas James Penfold, Gloria Capano

The excited state properties of transition metal complexes have become a central focus of research owing to a wide range of possible applications that seek to exploit their luminescence properties. Herein, we use density functional theory (DFT), time-depen ...

2015

The optical gap of the organic semiconductor [1]benzothieno[3,2-b]benzothiophene and its 2,7-dibrominated analogue is measured in solution and in the crystalline state by means of UV-vis and emission spectroscopy. Bromination leads to a change in molecular ...

Royal Soc Chemistry2014