Enhancing Organic Solar Cell Efficiency Through Metalloporphyrin Encapsulation : Charge Transfer and Fermi level shift in Single Walled Carbon Nanotubes
Résumé
In this study, we explore the potential of integrating metalloporphyrin molecules into semiconducting single-walled carbon nanotubes to form an active layer for solar cell devices. Using density functional theory, we investigate the optoelectronic properties of the encapsulated metalloporphyrin molecules inside single walled carbone nanotubes. The analysis reveals that the structural stability is attributed to the transfer of electrical charge between the metalloporphyrin molecule and the nanotube. Metal atoms were deliberately selected for their significant impact on the electronic properties of the hybrids, leading to enhanced light absorption, improved charge separation, and increased power conversion efficiency in solar cells. Observing a Fermi level shift in the nanotube post-encapsulation indicates a correlation between the charge transfer of metalloporphyrin molecules and the nanotube. These findings propose that encapsulated systems featuring type II heterojunctions show potential as effective charge carriers and light absorbers in the active layer of organic solar cells utilizing filled single-walled carbon nanotubes. This research holds promise for advancing the development of highly efficient organic solar cells utilizing filled single-walled carbon nanotubes
Domaines
Physique [physics]Origine | Fichiers produits par l'(les) auteur(s) |
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