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Impact of Singly Occupied Molecular Orbital energy on the n-doping efficiency of benzimidazole-derivatives

dc.rights.licenseopen
dc.contributor.authorRIERA-GALINDO, Sergi
dc.contributor.authorORBELLI BIROLI, Alessio
hal.structure.identifierCNR ISTM Istituto di Scienze e Tecnologie Molecolari
dc.contributor.authorFORNI, Alessandra
hal.structure.identifierDepartment of Physics, Chemistry and Biology [Linköping] [IFM]
dc.contributor.authorPUTTISONG, Yuttapoom
dc.contributor.authorTESSORE, Francesca
dc.contributor.authorPIZZOTTI, Maddalena
hal.structure.identifierLaboratoire de Chimie des Polymères Organiques [LCPO]
dc.contributor.authorPAVLOPOULOU, Eleni
dc.contributor.authorSOLANO, Eduardo
dc.contributor.authorWANG, Suhao
hal.structure.identifierChemistry Department, Shaanxi Key Laboratory of Physico-Inorganic Chemistry
dc.contributor.authorWANG, Gang
dc.contributor.authorRUOKO, Tero-Petri
hal.structure.identifierChongqing University [Chongqing]
dc.contributor.authorCHEN, Weimin
hal.structure.identifierDepartment of Science and Technology [Linköping]
dc.contributor.authorKEMERINK, Martijn
hal.structure.identifierDepartment of Science and Technology [Linköping]
dc.contributor.authorBERGGREN, Magnus
dc.contributor.authorDI CARLO, Gabriele
hal.structure.identifierDepartment of Science and Technology [Linköping]
dc.contributor.authorFABIANO, Simone
dc.date.accessioned2020
dc.date.available2020
dc.date.issued2019
dc.identifier.issn1944-8244
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/19636
dc.description.abstractEnWe investigated the impact of Singly Occupied Molecular Orbital (SOMO) energy on the n-doping efficiency of benzimidazole-derivatives. By designing and synthesizing a series of new air-stable benzimidazole-based dopants with different SOMO energy levels, we demonstrated that an increase of the dopant SOMO energy by only ~0.3 eV enhances the electrical conductivity of a benchmark electron-transporting naphthalenediimide-bithiophene polymer by more than one order of magnitude. By combining electrical, X-ray diffraction, and electron paramagnetic resonance measurements with density functional theory calculations and analytical transport simulations, we quantitatively characterized the conductivity , Seebeck coefficient, spin density, crystallinity of the doped polymer as a function of the dopant SOMO energy. Our findings strongly indicate that charge and energy transport are dominated by the (relative) position of the SOMO level, whereas morphological differences appear to play a lesser role. These results set molecular-design guidelines for next-generation n-type dopants.
dc.language.isoen
dc.publisherWashington, D.C. : American Chemical Society
dc.title.enImpact of Singly Occupied Molecular Orbital energy on the n-doping efficiency of benzimidazole-derivatives
dc.typeArticle de revue
dc.identifier.doi10.1021/acsami.9b12441
dc.subject.halChimie/Polymères
bordeaux.journalACS Applied Materials & Interfaces
bordeaux.page37981-37990
bordeaux.volume11
bordeaux.hal.laboratoriesLaboratoire de Chimie des Polymères Organiques (LCPO) - UMR 5629*
bordeaux.issue41
bordeaux.institutionBordeaux INP
bordeaux.institutionUniversité de Bordeaux
bordeaux.peerReviewedoui
hal.identifierhal-02888890
hal.version1
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-02888890v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=ACS%20Applied%20Materials%20&%20Interfaces&rft.date=2019&rft.volume=11&rft.issue=41&rft.spage=37981-37990&rft.epage=37981-37990&rft.eissn=1944-8244&rft.issn=1944-8244&rft.au=RIERA-GALINDO,%20Sergi&ORBELLI%20BIROLI,%20Alessio&FORNI,%20Alessandra&PUTTISONG,%20Yuttapoom&TESSORE,%20Francesca&rft.genre=article


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