ArticleACS omega2023
Molecular Engineering of Anthracene Core-Based Hole-Transporting Materials for Organic and Perovskite Photovoltaics.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- DFT investigation of fluorination sites effects on the photovoltaic performance of D-π-A donor materials.Journal of molecular modeling · 2026Article
- Investigating Charge-Carrier Dynamics in Heteroatom-Functionalized Triphenylamine Hole Transport Materials for Perovskite Solar Cells.Journal of fluorescence · 2026Article
- Impact of End-capped Acceptor Modification in Anthanthrone-Based D-π-A Type Donor Materials for Organic and as Hole Transporting Materials for Perovskite Solar Cells.Journal of fluorescence · 2025Article
- Article
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Authors and funding
6 authors.
Funding
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Abstract
Anthracene core-based hole-transporting material containing TIPs (triisopropylsilylacetylene) has been spotlighted as potential donors for perovskite solar cells (SCs) due to their appropriate energy levels, efficient hole transport capacity, high stability, and high power conversion efficiency. Herein, we have efficiently designed seven new highly conjugated A-B-D-C-D molecules (AS1-AS7) containing an anthracene core. We used end-capped modifications of donor units with acceptor units on one side and then theoretically characterized them for their appropriate use for SC applications. Modern quantum chemistry techniques have theoretically described the R (reference molecule) and developed (AS1-AS7) molecules. Moreover, the proposed (AS1-AS7) molecules are explored with density functional theory (DFT) and time-dependent density functional theory (TD-DFT) employing B3LYP/6-31G(d,p), and numerous parameters like photovoltaic, optical and electronic characteristics, frontier molecular orbital, excitation, binding and reorganization (λ
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Registered trials
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