Polarons in π-conjugated ladder-type polymers: a broken symmetry density functional description-Reference-Cited by-同舟云学术

Polarons in π-conjugated ladder-type polymers: a broken symmetry density functional description

Published:2019 Issue:41 Volume:7 Page:12876-12885
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Fazzi Daniele¹²³⁴⁵^ORCID,Fabiano Simone⁶⁷⁸⁹¹⁰^ORCID,Ruoko Tero-Petri⁶⁷⁸⁹¹⁰^ORCID,Meerholz Klaus¹²³⁴⁵,Negri Fabrizia¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Institut für Physikalische Chemie

2. Department Chemie

3. Universität zu Köln

4. D-50939 Köln

5. Germany

6. Laboratory of Organic Electronics

7. Department of Science and Technology

8. Linköping University

9. SE-60174 Norrköping

10. Sweden

11. Università di Bologna

12. Dipartimento di Chimica ‘Giacomo Ciamician’

13. 40126 Bologna

14. Italy

Abstract

Polarons play a role in charge transfer, thermo-electric and redox mechanisms. A detailed description of their multi-configurational wavefunction, structure and properties is provided for a conjugated ladder polymer, at the broken-symmetry DFT level.

Funder

Deutsche Forschungsgemeinschaft

Suomen Kulttuurirahasto

Vetenskapsrådet

Linköpings Universitet

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/TC/C9TC03283E

Reference86 articles.