Interfacial electronic coupling and band alignment of P3HT and exfoliated black phosphorous van der Waals heterojunctions

Autor(es)

Garcia-Basabe, Yunier ^[1] ; Gordo, Vanessa Orsi ^[2] ; Daminelli, Lara M. ^[1] ; Mendoza, Cesar D. ^[3] ; Vicentin, Flavio C. ^[4] ; Matusalem, Filipe ^[5] ; Rocha, Alexandre R. ^[5] ; de Matos, Christiano J. S. ^[2] ; Larrude, Dunieskys G. ^[2]

Afiliação do(s) autor(es)

^[1] Univ Fed Integracao Latino Amer, UNILA, BR-85867970 Foz Do Iguacu - Brazil

^[2] Univ Prebiteriana Mackenzie, MackGraphe Graphene & Nanomat Res Ctr, BR-01302907 Sao Paulo - Brazil

^[3] Pontificia Univ Catolica Rio de Janeiro, Dept Fis, BR-22451900 Rio De Janeiro - Brazil

^[4] Brazilian Ctr Res Energy & Mat CNPEM, Brazilian Synchrotron Light Lab LNLS, BR-13083970 Campinas, SP - Brazil

^[5] Sao Paulo State Univ UNESP, Inst Fis Teor, BR-01140070 Sao Paulo - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Applied Surface Science; v. 541, MAR 1 2021.
• Citações Web of Science: 0

Resumo

The band alignment and the interfacial electronic coupling of van der Waals heterojunctions formed by the Poly {[}3-hexylthiophene-2,5-diyl] (P3HT) semiconductor polymer and the mechanically exfoliated black phosphorous (BP) multilayers were investigated using different spectroscopies techniques. The energy band alignment was assessed using Ultraviolet (UPS) and X-ray (XPS) photoelectron spectroscopies. The result of this analysis shows that the P3HT-BP interface presents a type I band alignment with conduction band minimum and the valence band maximum located in the BP layer. A valence band offset of 0.45 eV and a conduction band offset of 1.25 eV parameters were found. Near-Edge X-ray Absorption Fine Structure (NEXAFS) and resonant Auger (RAS) synchrotron-based spectroscopies were used to investigate the interfacial electronic coupling between BP and P3HT. Interfacial charge transfer times obtained from core hole clock approach and using the Sls core-hole lifetime as a reference time were used as quantitative parameters to measure the degree of electronic coupling. We found that the pi{*}(S=C) electronic state is the faster electron delocalization pathway from the P3HT to the BP conduction band and therefore there is a strong electronic coupling between these states. This result was supported from density functional theoretical calculations. (AU)

• Processo FAPESP: 18/08988-9 - Aproveitando as propriedades únicas dos materiais 2D para dispositivos ópticos de alta velocidade
• Beneficiário: Hugo Luis Fragnito
• Modalidade de apoio: Auxílio à Pesquisa - Regular
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• Processo FAPESP: 17/02317-2 - Interfaces em materiais: propriedades eletrônicas, magnéticas, estruturais e de transporte
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