ArticleScientific reports2023
Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study.
Article in Scientific reports, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Substituent-controlled electronic redistribution and nonlinear optical response across the Ag-S interface in W@AgJournal of molecular modeling · 2026Article
- Rational Design of Diphenylamino-Thiazole Donor-π-Acceptor Schiff Base Chromophores: Solvatochromic Fluorescence, TD-DFT Insights, and Cytotoxic Activity.Journal of fluorescence · 2026Article
- Electronic structure, global reactivity descriptors and nonlinear optical properties of glycine interacted with ZnO, MgO and CaO for bacterial detection.Scientific reports · 2024Article
- Remarkable enhancement of the nonlinear optical behavior towards asymmetric substituted D-π-A dithiophene-based compounds.Journal of molecular modeling · 2024Article
- Exploration of nonlinear optical properties of 4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylpropanamide based derivatives: experimental and DFT approach.Scientific reports · 2024Article
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7 authors.
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Abstract
Fullerene free organic chromophores are widely utilized to improve the efficacy of photovoltaic materials. Herein, we designed D-π-A-π-D form chromophores (TAZD1-TAZD5) via end-capped redistribution of donor moieties by keeping the same π-bridge and central acceptor unit for organic solar cells (OSCs). To analyze the photovoltaic characteristics of these derivatives, DFT estimations were accomplished at B3LYP/6-311 G (d,p) functional. Different investigations like frontier molecular orbital (FMO), absorption spectra (UV-Vis), density of states (DOS), binding energy (E
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