Header

UZH-Logo

Maintenance Infos

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


Velasquez, Nicolas; B. Nunes, Fernanda; Travnikova, Oksana; Ismail, Iyas; Guillemin, Renaud; Martins, Jessica B; Céolin, Denis; Journel, Loïc; Fillaud, Laure; Koulentianos, Dimitris; Kamal, Chinnathambi; Püttner, Ralph; Piancastelli, Maria Novella; Simon, Marc; Odelius, Michael; Iannuzzi, Marcella; Marchenko, Tatiana (2024). X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy. Physical Chemistry Chemical Physics (PCCP), 26(2):1234-1244.

Abstract

We explore ultrafast charge transfer (CT) resonantly induced by hard X-ray radiation in organicthiophene-based polymers at the sulfur K-edge. A combination of core-hole clock spectroscopy withreal-time propagation time-dependent density functional theory simulations gives an insight into theelectron dynamics underlying the CT process. Our method provides control over CT by a selectiveexcitation of a specific resonance in the sulfur atom with monochromatic X-ray radiation. Our combinedexperimental and theoretical investigation establishes that the dominant mechanism of CT in polymerpowders and films consists of electron delocalisation along the polymer chain occurring on the low-femtosecond time scale.

Abstract

We explore ultrafast charge transfer (CT) resonantly induced by hard X-ray radiation in organicthiophene-based polymers at the sulfur K-edge. A combination of core-hole clock spectroscopy withreal-time propagation time-dependent density functional theory simulations gives an insight into theelectron dynamics underlying the CT process. Our method provides control over CT by a selectiveexcitation of a specific resonance in the sulfur atom with monochromatic X-ray radiation. Our combinedexperimental and theoretical investigation establishes that the dominant mechanism of CT in polymerpowders and films consists of electron delocalisation along the polymer chain occurring on the low-femtosecond time scale.

Statistics

Citations

Altmetrics

Downloads

7 downloads since deposited on 25 Jan 2024
7 downloads since 12 months
Detailed statistics

Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Scopus Subject Areas:Physical Sciences > General Physics and Astronomy
Physical Sciences > Physical and Theoretical Chemistry
Uncontrolled Keywords:Physical and Theoretical Chemistry, General Physics and Astronomy
Language:English
Date:1 January 2024
Deposited On:25 Jan 2024 16:48
Last Modified:30 Jun 2024 01:37
Publisher:Royal Society of Chemistry
ISSN:1463-9076
OA Status:Hybrid
Free access at:Publisher DOI. An embargo period may apply.
Publisher DOI:https://doi.org/10.1039/d3cp04303g
PubMed ID:38099819
Project Information:
  • : FunderH2020
  • : Grant ID860553
  • : Project TitleSMART-X - Study of carrier transport in MAterials by time-Resolved specTroscopy with ultrashort soft X-ray light
  • Content: Published Version
  • Language: English
  • Licence: Creative Commons: Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)