ArticleJournal of molecular modeling2020
Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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17 citing papers in PubMed.
- Boosting hole-blocking and electron-transport properties in indacenodithiophene-based molecules.RSC advances · 2026Article
- Structure-property relationship and design of carbazole naphthalene-based linear materials for organic and perovskite photovoltaics.RSC advances · 2025Article
- Synthesis, Characterization, Fluorescence Properties, and DFT Modeling of Difluoroboron Biindolediketonates.Molecules (Basel, Switzerland) · 2023Article
- Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study.RSC advances · 2023Article
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- Efficient designing of half-moon-shaped chalcogen heterocycles as non-fullerene acceptors for organic solar cells.Journal of molecular modeling · 2022Article
- Exploration of the Intriguing Photovoltaic Behavior for Fused Indacenodithiophene-Based A-D-A Conjugated Systems: A DFT Model Study.ACS omega · 2022Article
- A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections.Journal of molecular modeling · 2022Review
- Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells.Scientific reports · 2021Article
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- Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications.Journal of molecular modeling · 2021Article
- A Theoretical Framework of Zinc-Decorated Inorganic MgACS omega · 2021Article
- Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cells.Journal of molecular modeling · 2021Article
- In Silico Designing ofACS omega · 2021Article
- In Silico Modeling of New "Y-Series"-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells.ACS omega · 2020Article
- Designing Star-Shaped Subphthalocyanine-Based Acceptor Materials with Promising Photovoltaic Parameters for Non-fullerene Solar Cells.ACS omega · 2020Article
- Designing Novel Zn-Decorated Inorganic BACS omega · 2020Article
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11 authors.
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Abstract
Non-fullerene small molecular acceptors (NFSMAs) exhibit promising photovoltaic performance which promoted the rapid progress of organic solar cells (OSCs). In this study, an attempt is done to explore indenothiophene-based high-performance small molecular electron acceptors for organic solar cells. We have designed five acceptor molecules (M1-M5) with strong donor moiety indenothiophene linked to five different end-capped group acceptor moieties: diflouro-2-methylene-3-oxo-2,3-dihydroindene-1-ylidene)malononitrile (A1), 1-(dicyanomethylene)-2-methylene-3-oxo-2,3-dihydro-1H-indene-5,6-dicarbonitrile (A2), methyl-6-cyano-3-(dicyanomethylene)-2-methylene-1-oxo-2,3-dihydro-1H-indene-5-carboylate (A3), 2-(6-cyano-5-fluoro-2-methylene-3-oxo-2,3 dihydro-1H-indene-1-ylidene)malononitrile (A4), and (Z)-methyl 3-(benzo [c][1,2,5]thiadiazol-4-yl)-2-cyanoacrylate (A5) respectively. The structure-property relationship was studied and effects of structural modification on the optoelectronic properties of these acceptors (M1-M5) were determined systematically by comparing it with reference molecule R, which is recently reported as excellent non-fullerene-based small acceptor molecule. Among all designed molecules, M5 is proven as a suitable candidate for organic solar cell applications due to better photovoltaic properties including narrow HOMO-LUMO energy gap (2.11 eV), smallest electron mobility (λ
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