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Effects of Molecular Encapsulation on the Photophysical and Charge Transport Properties of a Naphthalene Diimide Bithiophene Copolymer.

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cam.issuedOnline2022-09-05
dc.contributor.authorPecorario, Stefano
dc.contributor.authorRoyakkers, Jeroen
dc.contributor.authorScaccabarozzi, Alberto D
dc.contributor.authorPallini, Francesca
dc.contributor.authorBeverina, Luca
dc.contributor.authorBronstein, Hugo
dc.contributor.authorCaironi, Mario
dc.contributor.orcidPecorario, Stefano [0000-0001-9217-550X]
dc.contributor.orcidRoyakkers, Jeroen [0000-0002-6827-0969]
dc.contributor.orcidBeverina, Luca [0000-0002-6450-545X]
dc.contributor.orcidBronstein, Hugo [0000-0003-0293-8775]
dc.contributor.orcidCaironi, Mario [0000-0002-0442-4439]
dc.date.accessioned2022-11-04T02:05:54Z
dc.date.available2022-11-04T02:05:54Z
dc.date.issued2022-09-27
dc.date.updated2022-11-04T02:05:53Z
dc.description.abstractEngineering the molecular structure of conjugated polymers is key to advancing the field of organic electronics. In this work, we synthesized a molecularly encapsulated version of the naphthalene diimide bithiophene copolymer PNDIT2, which is among the most popular high charge mobility organic semiconductors in n-type field-effect transistors and non-fullerene acceptors in organic photovoltaic blends. The encapsulating macrocycles shield the bithiophene units while leaving the naphthalene diimide units available for intermolecular interactions. With respect to PNDIT2, the encapsulated counterpart displays an increased backbone planarity. Molecular encapsulation prevents preaggregation of the polymer chains in common organic solvents, while it permits π-stacking in the solid state and promotes thin film crystallinity through an intermolecular-lock mechanism. Consequently, n-type semiconducting behavior is retained in field-effect transistors, although charge mobility is lower than in PNDIT2 due to the absence of the fibrillar microstructure that originates from preaggregation in solution. Hence, molecularly encapsulating conjugated polymers represent a promising chemical strategy to tune the molecular interaction in solution and the backbone conformation and to consequently control the nanomorphology of casted films without altering the electronic structure of the core polymer.
dc.identifier.doi10.17863/CAM.90312
dc.identifier.eissn1520-5002
dc.identifier.issn0897-4756
dc.identifier.otherPMC9520976
dc.identifier.other36186667
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/342897
dc.languageeng
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.publisher.urlhttp://dx.doi.org/10.1021/acs.chemmater.2c01894
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceessn: 1520-5002
dc.sourcenlmid: 9884133
dc.subject40 Engineering
dc.subject3403 Macromolecular and Materials Chemistry
dc.subject4016 Materials Engineering
dc.subject34 Chemical Sciences
dc.titleEffects of Molecular Encapsulation on the Photophysical and Charge Transport Properties of a Naphthalene Diimide Bithiophene Copolymer.
dc.typeArticle
prism.endingPage8335
prism.issueIdentifier18
prism.publicationNameChem Mater
prism.startingPage8324
prism.volume34
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/S003126/1)
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
rioxxterms.versionVoR
rioxxterms.versionofrecord10.1021/acs.chemmater.2c01894

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