Excitation Energy Transfer via Electron Transfer between a Semi-Conducting Single Walled-Carbon Nanotube and Encapsulated Zinc Porphyrin or Photovoltaic Application

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dc.contributor.authorEl Fatimy, A.
dc.contributor.authorBoutahir, M.
dc.contributor.authorLopez J, M.
dc.contributor.authorEl Khattabi, E.
dc.contributor.authorRahmani, A.
dc.date.accessioned2025-01-20T17:10:29Z
dc.date.available2025-01-20T17:10:29Z
dc.date.issued2024
dc.description.abstractIn this paper, the encapsulating effect of single molecule of zinc porphyrin (Zn-P) inside semiconducting single walled carbon nanotubes (NT17) on the stability and optoelectronic properties of organic solar cells is investigated, assuming that this nano-hybrid system will serve as the active layer in solar cell device. Making use of density functional theory (DFT), we looked at the optoelectronic characteristics of the isolated Zn-P molecules as well as two different configurations of the hybrid system that has a single Zn-P molecule inserted into NT17 (Zn-P@NT17 and Zn-P2@NT17). The addition of a zinc atom at the core of a porphyrin molecule results in the emergence of novel electronic and chemical characteristics, leading to distinct behavior compared to a free-base porphyrin. These distinctions hold substantial implications for a range of applications, encompassing catalysis, sensing, and energy conversion processes. According to the study's outcomes, a charge transfer (CT) between the Zn-P molecules and the NT17 nanotube caused the structure to remain stable, and assuming to the electronic and optical computations the CT in Zn-P@NT17 hybrid nanosystems has been identified, along with its orientation. The results show that type II heterojunctions on filled semiconducting carbon nanotubes are likely to make them a viable choice for charge and light transport in the active layer, which can help create filled NT-based OSCs that are extremely efficient.
dc.description.abstractThese composite systems exhibit a bulk heterojunction of type II, facilitating the efficient separation of charge carriers generated by light. This characteristic is advantageous for enhancing charge transport and increasing the power conversion efficiency in organic solar cells.+image
dc.fuente.origenWOS
dc.identifier.doi10.1002/slct.202302799
dc.identifier.issn2365-6549
dc.identifier.urihttps://doi.org/10.1002/slct.202302799
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/91111
dc.identifier.wosidWOS:001135002000001
dc.issue.numero1
dc.language.isoen
dc.revistaChemistryselect
dc.rightsacceso restringido
dc.subjectSWNTs
dc.subjectZn-P
dc.subjectOrganic solar cells
dc.subject.ods07 Affordable and Clean Energy
dc.subject.odspa07 Energía asequible y no contaminante
dc.titleExcitation Energy Transfer via Electron Transfer between a Semi-Conducting Single Walled-Carbon Nanotube and Encapsulated Zinc Porphyrin or Photovoltaic Application
dc.typeartículo
dc.volumen9
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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