Interlayer band alignment and electronic coupling effects at thiophene-based polymers/ReS2 van der Waals heterojunction

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Autor(es): dc.contributorUNILA-
Autor(es): dc.contributorMackenzie Presbyterian University-
Autor(es): dc.contributorBrazilian Center for Research in Energy and Materials (CNPEM)-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.creatorGarcia-Basabe, Yunier-
Autor(es): dc.creatorArce-Molina, Jorge-
Autor(es): dc.creatorda Silva Lima, Bruno-
Autor(es): dc.creatorRodrigues, Daniel-
Autor(es): dc.creatorVicentin, Flavio C.-
Autor(es): dc.creatorSteinberg, David-
Autor(es): dc.creatorThoroh de Souza, E. A.-
Autor(es): dc.creatorRocha, Alexandre R.-
Autor(es): dc.creatorLarrude, Dunieskys G.-
Data de aceite: dc.date.accessioned2025-08-21T20:10:21Z-
Data de disponibilização: dc.date.available2025-08-21T20:10:21Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2025-08-15-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.apsusc.2025.163265-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/297018-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/297018-
Descrição: dc.descriptionIn this study, we investigate two vdW heterojunctions, P3HT/ReS2 and PFO-DBT/ReS2, obtained by vertically stacking the thiophene-based semiconductor polymers poly(3-hexylthiophene-2,5-diyl) (P3HT) and Poly[2,7-(9,9-dioctylfluorene)- alt −4,7-bis(thiophen-2-yl) benzo-2,1,3-thiadiazole (PFO-DBT) with mechanically exfoliated ReS2. X-ray photoelectron spectroscopy (XPS) revealed that P3HT/ReS2 heterojunction, exhibits a type-I band alignment, with a valence band offset (VBO) of 0.32 eV and a conduction band offset (CBO) of 0.26 eV, positioning the conduction band minimum and valence band maximum within ReS2. In contrast, the PFO-DBT/ReS2 heterojunction exhibited a type-II band alignment, with the conduction band minimum in ReS2 and the valence band maximum in PFO-DBT, showing a VBO of −0.2 eV and a CBO of 0.59 eV. The distinct electronic coupling mechanisms in each heterojunction are attributed to the molecular-surface absorption geometry: a plane-on molecular orientation of P3HT polymer on the ReS2 surface induces interlayer electronic coupling through the electron rich π-system, whereas PFO-DBT exhibits lower molecular ordering on ReS2. The type-I and type-II band alignments observed in the P3HT/ReS2 and PFO-DBT/ReS2 heterojunctions, are consistent with the photoluminescence spectroscopy results. These findings suggest PFO-DBT/ReS2 is suitable for photovoltaic devices, while P3HT/ReS2 holds potential for LEDs.-
Descrição: dc.descriptionUniversidade Federal da Integração Latino-Americana UNILA-
Descrição: dc.descriptionSchool of Engineering Mackenzie Presbyterian University-
Descrição: dc.descriptionBrazilian Synchrotron Light Laboratory (LNLS) Brazilian Center for Research in Energy and Materials (CNPEM), Campinas-
Descrição: dc.descriptionMackGraphe-Graphene and Nanomaterial Research Center Mackenzie Presbyterian University-
Descrição: dc.descriptionInstituto de Física Teórica São Paulo State University (UNESP)-
Descrição: dc.descriptionInstituto de Física Teórica São Paulo State University (UNESP)-
Idioma: dc.languageen-
Relação: dc.relationApplied Surface Science-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectBand alignment-
Palavras-chave: dc.subjectElectronic coupling-
Palavras-chave: dc.subjectOrganic/inorganic van der Waals heterojunction-
Palavras-chave: dc.subjectReS2-
Palavras-chave: dc.subjectThiophene-based polymers-
Título: dc.titleInterlayer band alignment and electronic coupling effects at thiophene-based polymers/ReS2 van der Waals heterojunction-
Tipo de arquivo: dc.typelivro digital-
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