Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding
Affiliation
Univ Arizona, James C Wyant Coll Opt SciIssue Date
2020-09
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ROYAL SOC CHEMISTRYCitation
Dong, C. D., & Schumacher, S. (2020). Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C, 8(34), 11929-11935.Journal
JOURNAL OF MATERIALS CHEMISTRY CRights
© Royal Society of Chemistry 2020.Collection Information
This item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.Abstract
The mechanistic study of molecular doping of organic semiconductors (OSC) requires an improved understanding of the role and formation of integer charge transfer complexes (ICTC) on a microscopic level. In the present work we go one crucial step beyond the simplest scenario of an isolated bi-molecular ICTC and study ICTCs formed of up to two poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b,3,4-b '']dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDT-BT) oligomers and up to two CN6-CP molecules. We find that depending on geometric arrangement, complexes containing two conjugated oligomers and two dopant molecules can show p-type doping with double integer charge transfer, resulting in either two singly doped oligomers or one doubly doped oligomer. Interestingly, compared to an individual oligomer-dopant complex, the resulting in-gap states on the doped oligomers are significantly lowered in energy. Indicating that, already in the relatively small systems studied here, Coulomb binding of the doping-induced positive charge to the counter-ion is reduced which is an elemental step towards generating mobile charge carriers through molecular doping.Note
12 month embargo; first published online 03 August 2020ISSN
2050-7526EISSN
2050-7534Version
Final published versionae974a485f413a2113503eed53cd6c53
10.1039/d0tc02185g