Correction for ‘High photovoltaic performance (23.75) of triazatruxene-based dye-sensitized solar cells containing different π bridges: computational investigation’ by Alioui Abdelaaziz et al., New J. Chem., 2023, 47, 8723–8736, https://doi.org/10.1039/D3NJ00371J.
The efficiency of the newly designed dye-sensitized solar cells (DSSCs) containing triphenylamine, diphenylamine (TPA), phenothiazine, and phenoxazine as donors and triazine, phenyl with D1-D2-π-linker-π-(A)2 architecture has been investigated using density functional theory (DFT) and time-dependent (TD-DFT) methods. These methods were used to investigate the geometrical structures, electronic properties, absorption, photovoltaic properties, and chemical reactivity. Furthermore, the calculated results indicate that different architectures can modify the energy levels of HOMO and LUMO and reduce the energy gap. The absorption undergoes a redshift displacement. This work aims at calculating the structural geometries and the electronic and optical properties of the designed dyes. Furthermore, the dye adsorption characteristics, such as the optoelectronic properties and the adsorption energies in the TiO2 clusters, were calculated with counterpoise correction and discussed.
Six new organic dyes, D–π–A, were studied in DSCC applications, based on triazatruxene (D) connected to different π bridges and an electron acceptor 2-cyanoacrylic acid (A). One of these dyes presents a photovoltaic performance of approximately 23.75.
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