English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Nuclear dynamics of singlet exciton fission in pentacene single crystals

Seiler, H., Krynski, M., Zahn, D., Hammer, S., Windsor, Y. W., Vasileiadis, T., et al. (2021). Nuclear dynamics of singlet exciton fission in pentacene single crystals. Science Advances, 7(26): eabg0869. doi:10.1126/sciadv.abg0869.

Item is

Basic

show hide
Genre: Journal Article

Files

show Files
hide Files
:
eabg0869.full.pdf (Publisher version), 2MB
Name:
eabg0869.full.pdf
Description:
This is an open-access article distributed under the terms of the Creative Commons Attribution license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
2021
Copyright Info:
© The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.
:
suppl.zip (Supplementary material), 73MB
Name:
suppl.zip
Description:
Texts S1 to S6, Legends for movies S1 to S4, Figs. S1 to S12, References (pdf); Movie S1-S4 (mp4s)
Visibility:
Public
MIME-Type / Checksum:
application/zip / [MD5]
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show
hide
Locator:
https://arxiv.org/abs/2011.12016 (Preprint)
Description:
-
Locator:
https://dx.doi.org/10.1126/sciadv.abg0869 (Publisher version)
Description:
-
Locator:
http://dx.doi.org/10.5281/zenodo.4659639 (Supplementary material)
Description:
Research data

Creators

show
hide
 Creators:
Seiler, H.1, Author
Krynski, M.1, Author
Zahn, D.1, Author
Hammer, S.2, Author
Windsor, Y. W.1, Author
Vasileiadis, T.1, Author
Pflaum, J.2, 3, Author
Ernstorfer, R.1, Author
Rossi, M.1, 4, Author              
Schwoerer, H.5, Author              
Affiliations:
1Fritz-Haber-Institut der Max-Planck-Gesellschaft, ou_persistent22              
2Julius-Maximilians-Universität, Experimental Physics VI, ou_persistent22              
3Bayerisches Zentrum für Angewandte Energieforschung, ou_persistent22              
4Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3185035              
5Ultrafast Beam Applications, Scientific Service Units, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3255798              

Content

show
hide
Free keywords: -
 Abstract: Singlet exciton fission (SEF) is a key process for developing efficient optoelectronic devices. An aspect rarely probed directly, yet with tremendous impact on SEF properties, is the nuclear structure and dynamics involved in this process. Here, we directly observe the nuclear dynamics accompanying the SEF process in single crystal pentacene using femtosecond electron diffraction. The data reveal coherent atomic motions at 1 THz, incoherent motions, and an anisotropic lattice distortion representing the polaronic character of the triplet excitons. Combining molecular dynamics simulations, time-dependent density-functional theory, and experimental structure factor analysis, the coherent motions are identified as collective sliding motions of the pentacene molecules along their long axis. Such motions modify the excitonic coupling between adjacent molecules. Our findings reveal that long-range motions play a decisive part in the electronic decoupling of the electronically correlated triplet pairs and shed light on why SEF occurs on ultrafast time scales.

Details

show
hide
Language(s): eng - English
 Dates: 2020-12-092021-05-142021-06-252021-06-23
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: arXiv: 2011.12016
DOI: 10.1126/sciadv.abg0869
 Degree: -

Event

show

Legal Case

show

Project information

show hide
Project name : -
Grant ID : 682843
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

Source 1

show
hide
Title: Science Advances
  Other : Sci. Adv.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Washington : AAAS
Pages: - Volume / Issue: 7 (26) Sequence Number: eabg0869 Start / End Page: - Identifier: ISSN: 2375-2548
CoNE: https://pure.mpg.de/cone/journals/resource/2375-2548