Short bandgap of porphyrin molecules (Py) filled in a semiconducting single-walled carbon nanotube (Py@NT17) for highly efficient organic photovoltaic cells

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dc.contributor.authorEl fatimy, Anass
dc.contributor.authorBoutahir, Mourad
dc.contributor.authorFakrach, Brahim
dc.contributor.authorMejia-Lopez, Jose
dc.contributor.authorBoutahir, Oussama
dc.contributor.authorRahmani, Abdelhai
dc.contributor.authorChadli, Hassane
dc.contributor.authorRahmania, Abdelali
dc.date.accessioned2025-01-20T20:07:13Z
dc.date.available2025-01-20T20:07:13Z
dc.date.issued2023
dc.description.abstractIn this paper, the porphyrin (Py) molecule, which is filled in the semiconducting single-walled carbon nanotube (SWNT) known as CNT17, is investigated. We have calculated the optoelectronic characteristics of two configurations of the hybrid system with a single Py molecule filled into CNT17 (Py@CNT17 and Py2@CNT17) using density functional theory (DFT). According to the investigation's findings, a charge transfer occurred between the Py molecules and the CNT17 nanotube, confirming the stability of the structure. As determined by the electronic calculation, we discovered that the rise in the fermi energy position of CNT17 after encapsulation, suggests a CT connection between Py and CNT17.
dc.fuente.origenWOS
dc.identifier.doi10.1016/j.mseb.2023.116456
dc.identifier.eissn1873-4944
dc.identifier.issn0921-5107
dc.identifier.urihttps://doi.org/10.1016/j.mseb.2023.116456
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/91776
dc.identifier.wosidWOS:001055149400001
dc.language.isoen
dc.revistaMaterials science and engineering b-advanced functional solid-state materials
dc.rightsacceso restringido
dc.subjectSWNTs
dc.subjectCharge transfer
dc.subjectPorphyrin
dc.subject.ods07 Affordable and Clean Energy
dc.subject.odspa07 Energía asequible y no contaminante
dc.titleShort bandgap of porphyrin molecules (Py) filled in a semiconducting single-walled carbon nanotube (Py@NT17) for highly efficient organic photovoltaic cells
dc.typeartículo
dc.volumen293
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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