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Theoretical study of aromatic-antiaromatic pairs as material in organic solar cells of double light harvesting

dc.contributor.authorMartinez I.
dc.contributor.authorSchott E.
dc.contributor.authorChávez I.
dc.contributor.authorManríquez J.M.
dc.contributor.authorZarate X.
dc.date.accessioned2020-09-02T22:22:23Z
dc.date.available2020-09-02T22:22:23Z
dc.date.issued2016
dc.identifier10.1016/j.cplett.2016.06.079
dc.identifier.citation659, , 31-35
dc.identifier.issn00092614
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5214
dc.descriptionMolecular light harvesting components of organic solar cells containing antiaromatic and aromatic molecules as organic semiconductors were studied. We found that antiaromatic molecules with indacene core can act as acceptors looking for new options to assemble donor/acceptor interfaces. This is supported by their properties such as molecular orbitals energies, rigid fused core that could promote π-π intermolecular interactions imparting ordered nanostructures, that let high charge mobility thanks to their properly low reorganization energy and the optimum energy offsets of the donor/acceptor interfaces. It was found that pentacene might be an excellent donor and the benzo[g]benz[6,7]indeno[1,2-b]fluorene could act as an acceptor. © 2016 Elsevier B.V.
dc.language.isoen
dc.publisherElsevier B.V.
dc.subjectDFT
dc.subjectIndacene
dc.subjectOrganic solar cells
dc.subjectReorganization energy
dc.subjectAromatic compounds
dc.subjectMolecular orbitals
dc.subjectMolecules
dc.subjectNanostructured materials
dc.subjectSemiconducting organic compounds
dc.subjectSolar cells
dc.subjectAntiaromatic molecules
dc.subjectAromatic molecules
dc.subjectDonor/acceptor interface
dc.subjectIndacene
dc.subjectIndeno[1 ,2-b]fluorene
dc.subjectIntermolecular interactions
dc.subjectOrdered nanostructures
dc.subjectReorganization energies
dc.subjectOrganic solar cells
dc.titleTheoretical study of aromatic-antiaromatic pairs as material in organic solar cells of double light harvesting
dc.typeArticle


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