Designing of phenothiazine-based hole-transport materials with excellent photovoltaic properties for high-efficiency perovskite solar cells (PSCs).

Autor: Zahid WA; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan., Akram W; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan., Ahmad MF; Department of Chemistry, University of Education, Lahore, Pakistan., Iqbal S; Department of Chemical Engineering, Wah Engineering College, University of Wah, Wah Cantt 47040, Pakistan. Electronic address: saleem.iqbal@hotmail.com., Abdelmohsen SAM; Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia., Alanazi MM; Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia., Elmushyakhi A; Department of Mechanical Engineering, College of Engineering, Northern Border University, Arar, Saudi Arabia., Hossain I; School of Natural Sciences and Mathematics, Ural Federal University, Yekaterinburg 620000, Russia., Iqbal J; Department of Chemistry, University of Agriculture, Faisalabad 38000, Pakistan. Electronic address: javedkhattak79@gmail.com.
Jazyk: angličtina
Zdroj: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2023 Oct 05; Vol. 298, pp. 122774. Date of Electronic Publication: 2023 Apr 26.
DOI: 10.1016/j.saa.2023.122774
Abstrakt: In this study, a series of highly efficient organic hole-transporting materials (HTMs) were designed using Schiff base chemistry by modifying a phenothiazine-based core with triphenylamine through end-capped acceptor engineering via thiophene linkers. The designed HTMs (AZO1-AZO5) exhibited superior planarity and greater attractive forces, making them ideal for accelerated hole mobility. They also showed deeper HOMO energy levels (-5.41 eV to -5.28 eV) and smaller energy band gaps (2.22 eV to 2.72 eV), which improved charge transport behavior, open-circuit current, fill factor, and power conversion efficiency of perovskite solar cells (PSCs). The dipole moments and solvation energies of the HTMs revealed their high solubility, making them suitable for the fabrication of multilayered films. The designed HTMs showed tremendous enhancements in power conversion efficiency (26.19 % to 28.76 %) and open-circuit voltage (1.43 V to 1.56 V), with higher absorption wavelength than the reference molecule (14.43 %). Overall, the Schiff base chemistry-driven design of thiophene-bridged end-capped acceptor HTMs is highly effective in enhancing the optical and electronic properties of perovskite solar cells.
Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2023 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
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