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• W4324091507 abstract "Abstract It is essential to interpret and analyze the performance and effectiveness of dye which acts as the photon harvester component in dye-sensitized solar cells (DSSCs) applications with a molecular level insight. D2 dye was tested experimentally and proved to perform better than other investigated dyes. D2 in the fabricated solar cell achieved 690 mV of open-circuit voltage (({text{V}}_{text{o}text{c}})), 0.73 fill factor ((text{F}text{F})), 10.40 mA.cm − 2 of sort-circuit current (({text{J}}_{text{s}text{c}})), and a 5.27% of power conversion efficiency (({eta })). D2 is E)-2-cyano-3-(5-(10-(4-(di-p-tolylamino)phenyl)-6,12-bis(octyloxy)naphtho[7,8,1,2,3-nopqr]tetraphen-4-yl)thiophen-2-yl)acrylic acid compound with anthanthrene core as a π-linker substituted at 6–12 positions with nonane alkyl groups. The chemical structure engineering of D2 photosensitizer is predicted to have a significant role in DSSC devices. This work replaced the anthanthrene core with 694 kJ/mol resonance energy with other aromatic cores with different resonance energies (ranging from 255 to 529 kJ/mol). Seven dyes were designed to examine the effects of resonance energies of π-aromatic linker on the geometrical, optical, and photovoltaic parameters in the isolated and adsorbed (on TiO 2 semiconductor) dyes forms. Comparison between the experimental data of D2 allow the validation of the theoretical approach and is used as a reference to evaluate the potential of the designed dyes in this application. In addition, the DSSC device was optimized using the SCAPS-1D software and successfully simulated the main electrochemical parameters." @default.
• W4324091507 created "2023-03-14" @default.
• W4324091507 creator A5049635699 @default.
• W4324091507 creator A5051746447 @default.
• W4324091507 creator A5088072057 @default.
• W4324091507 date "2023-03-13" @default.
• W4324091507 modified "2023-09-25" @default.
• W4324091507 title "From molecule to device: DFT and SCAPS-1D simulations on the effect of aromaticity of π-linkers on enhancing the performance of anthanthrene-based dyes with D-π-A configuration in dye‐sensitized solar cells" @default.
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• W4324091507 doi "https://doi.org/10.21203/rs.3.rs-2646924/v1" @default.
• W4324091507 hasPublicationYear "2023" @default.
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