Electronic couplings and rates of excited state charge transfer processes at poly(thiophene-co-quinoxaline)–PC71BM interfaces: two- versus multi-state treatments

Author:

Kastinen Tuuva12345ORCID,da Silva Filho Demetrio Antonio6789ORCID,Paunonen Lassi1011345ORCID,Linares Mathieu1213141516ORCID,Ribeiro Junior Luiz Antonio6789ORCID,Cramariuc Oana172345ORCID,Hukka Terttu I.12345ORCID

Affiliation:

1. Chemistry and Advanced Materials

2. Faculty of Engineering and Natural Sciences

3. Tampere University

4. FI-33014 Tampere University

5. Finland

6. Institute of Physics

7. University of Brasília

8. Brasília

9. Brazil

10. Mathematics

11. Faculty of Information Technology and Communication Sciences

12. Laboratory of Organic Electronics

13. ITN

14. Campus Norrköping

15. Linköping University

16. SE-581 83 Linköping

17. Physics

Abstract

Multi-state effects should be considered when calculating electronic couplings at local polymer–fullerene interfaces with the non-tuned and optimally tuned long-range corrected functionals.

Funder

Academy of Finland

Tampereen Teknillinen Yliopisto

Suomen Kulttuurirahasto

Tampereen Yliopisto

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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