Universität zu Köln

Budzinauskas, K., Fazzi, D., Hertel, D., Rueth, S., Schelter, J., Weitkamp, P., Diesing, S., Meerholz, K. and van Loosdrecht, P. H. M. (2020). Impact of the Interfacial Molecular Structure Organization on the Charge Transfer State Formation and Exciton Delocalization in Merocyanine:PC61BM Blends. J. Phys. Chem. C, 124 (40). S. 21978 - 21985. WASHINGTON: AMER CHEMICAL SOC. ISSN 1932-7455

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Abstract

The intermolecular charge transfer (CT) exciton in the merocyanine:[6,6]-phenyl-C-61-butyric acid methyl ester (PC61BM) system induced by the molecular geometry is investigated. The CT state, localized on the merocyanine domain, was experimentally observed in the transient spectra and modeled via DFT/TDDFT calculations. A relationship between molecular geometry at the donor/acceptor interface and the delocalization of the CT exciton was identified. It was found that different alkyl side chains of merocyanine can be used to tune the formation of H-aggregates by means of better intermixing with PC61BM. Moreover, we observed that high H aggregation increases the charge delocalization and improves the efficiency and carrier transport properties of the merocyanine-based bulk heterojunction solar cell.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Budzinauskas, K. UNSPECIFIED UNSPECIFIED UNSPECIFIED Fazzi, D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Hertel, D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Rueth, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schelter, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Weitkamp, P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Diesing, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Meerholz, K. UNSPECIFIED UNSPECIFIED UNSPECIFIED van Loosdrecht, P. H. M. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-315402
DOI:	10.1021/acs.jpcc.0c06296
Journal or Publication Title:	J. Phys. Chem. C
Volume:	124
Number:	40
Page Range:	S. 21978 - 21985
Date:	2020
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1932-7455
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SOLID-STATE; ABSORPTION-BAND; DYE; ORIENTATION; AGGREGATION; ENERGETICS; EMISSION; OPTICS Multiple languages Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/31540