X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy.

Autor:	Velasquez N; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr., B Nunes F; Department of Chemistry, University of Zurich, Zurich 8057, Switzerland. marcella.iannuzzi@chem.uzh.ch., Travnikova O; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France., Ismail I; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France., Guillemin R; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France., Martins JB; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr., Céolin D; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France., Journel L; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France., Fillaud L; Sorbonne Université, CNRS, Laboratoire Interfaces et Systèmes Electrochimiques, LISE, F-75005 Paris Cedex 05, France., Koulentianos D; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg, Sweden., Kamal C; Theory and Simulations Laboratory, TCPS, Raja Ramanna Centre for Advanced Technology, Indore 452013, India.; Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai, Maharashtra 400094, India., Püttner R; Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany., Piancastelli MN; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr., Simon M; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France., Odelius M; Department of Physics, Stockholm University, AlbaNova University Center, 10691 Stockholm, Sweden., Iannuzzi M; Department of Chemistry, University of Zurich, Zurich 8057, Switzerland. marcella.iannuzzi@chem.uzh.ch., Marchenko T; Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005 Paris Cedex 05, France. tatiana.marchenko@sorbonne-universite.fr.; Synchrotron Soleil, L'Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette, France.
Jazyk:	angličtina
Zdroj:	Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Jan 03; Vol. 26 (2), pp. 1234-1244. Date of Electronic Publication: 2024 Jan 03.
DOI:	10.1039/d3cp04303g
Abstrakt:	We explore ultrafast charge transfer (CT) resonantly induced by hard X-ray radiation in organic thiophene-based polymers at the sulfur K-edge. A combination of core-hole clock spectroscopy with real-time propagation time-dependent density functional theory simulations gives an insight into the electron dynamics underlying the CT process. Our method provides control over CT by a selective excitation of a specific resonance in the sulfur atom with monochromatic X-ray radiation. Our combined experimental and theoretical investigation establishes that the dominant mechanism of CT in polymer powders and films consists of electron delocalisation along the polymer chain occurring on the low-femtosecond time scale.
Databáze:	MEDLINE
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