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Within the scope of this study aimed at safeguarding our environment, we utilized an economical apparatus to eliminate the leachate present in the landfill of Khénifra, Morocco. This substance, predominantly composed of organic matter, exerts a detrimental impact on the ecosystem. The solution put forth in this research involves employing a flat solar collector to expedite the evaporation process of the leachate, which occupies three substantial basins within the landfill. The results obtained showcase a remarkable enhancement in evaporation efficiency, with the flat solar collector contributing to an impressive 300% increase, thereby significantly reducing the evaporation timeframe when compared to the traditional method employed in the landfill. In the context of our experiment, we observed a noteworthy reduction of 18 days in evaporation duration compared to the natural evaporation process, thanks to the implementation of this solar collector. This straightforward, efficacious, and notably cost-effective technique yields compelling and promising results. [ABSTRACT FROM AUTHOR]

In this work, six molecules M1-M6, with the donor—π-spacer—acceptor structure, based on triphenylamine have been purposely studied to be applied in π-type dye-sensitized solar cells (DSSCs). We explore the effect of different electron-withdrawing substituents on the optoelectronic, structural, and photovoltaic dye properties. The key parameters of all the dyes affecting the power conversion efficiency (PCE) were theoretically investigated in detail using density functional theory (DFT) and TD-BHandHLYP calculations to reveal structure–property relationships. The calculated results show that the strong electron-withdrawing groups of thienothiadiazole and furano-thiadiazole, reduce energy gaps and provide a red shift of absorption spectra. The dye M1 and M3 have presented interesting optoelectronic properties with interesting charge transfer properties. Meanwhile, the enhanced free energy of charge injection (∆Ginject) and light-harvesting efficiency of the M5 dye revealed that this dye can be used as a potential sensitizer for TiO2-based DSSCs. The DFT method is also used to evaluate the bond interactions between the dye and iodine. The results suggest that dyes containing thienothiadiazole and furano-thiadiazole as π-spacers show more stable interactions with iodine species, thereby increasing the concentration of the redox couple at the surface of the semiconductor. In addition, the process of charge transfer and dye adsorption on (TiO2)9 cluster was investigated. Calculations show that the M3 dye has lower adsorption energy than the corresponding M1 dye. These results suggest that the adsorption of M3 on the TiO2 semiconductor would be more stable. The results indicate that the selected dyes provide promising results and motivate future investigations on these new systems. [ABSTRACT FROM AUTHOR]

In this study, the photovoltaic properties and the effects of modifying phosphonic acid‐based dye‐sensitized solar cell (DSSC) via an electron‐withdrawing moiety were theoretically investigated using density functional theory methodology. According to the results, the inclusion of the CC and the electron‐withdrawing CN moieties exhibits a decrease in the highest occupied molecular orbital (HOMO)‐lowest unoccupied molecular orbital (LUMO) gap and a redshift in the absorption spectra. The photoelectric conversion efficiency (PCE) for the T4BTD‐A dye was estimated to be about 6.57% under the standard AM 1.5G solar radiation, which is in excellent agreement with its measured value of 6.40%, suggesting that the calculation scheme is consistent. In addition, the predicted PCE value after elongation of T4BTD‐A by CC and cyanure (CN) has increased to 7.11% and (7.82%, 8.09%), respectively. The addition of CN electron‐withdrawing moiety also enhances the PCE of the studied dyes, while the position of CN moiety has a slight effect on the PCE of the studied dyes. Finally, the calculation suggests that the CCCN1 and CCCN2 are good candidates as efficient sensitizers for DSSC applications. [ABSTRACT FROM AUTHOR]

In this work, we study eight novel organic donor-π-acceptor dyes (Pi (i=1-8)), used for dye sensitized solar cells (DSSCs). The designed dyes are differentiated by the nature of the π-bridge linked the electron donor group N,Ndiethylaniline and the acceptor cyanoacrylic acid group. In this study Density Functional Theory (DFT) and its extensible Time Dependent DFT (TDDFT) approaches have been used to shed light on how the π-conjugation order influence the performance of the dyes in the DSSCs. The HOMO, LUMO and Gap energy of these compounds have been calculated and reported in this paper. Our aim is to explore their electronic and optoelectronic properties based on the DFT quantum chemical calculations. Also, we were interested to elucidate the parameters that influence the photovoltaic efficiency toward better understanding of the structure-property relationships. The study of the electronic and optical properties of these compounds could help design more efficient organic photovoltaic functional materials. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]