ArticlePolymers2025
Exploring the Impact of Structural Modifications of Phenothiazine-Based Novel Compounds for Organic Solar Cells: DFT Investigations.
Article in Polymers, 2025. 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.
- Article
- 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
- Tuning the Structures and Photophysical Properties of D1-A-π-D2 Fluorophores by Terminal Donors (D2).Journal of fluorescence · 2025Article
- Coupled DFT and SCAPS-1D investigation of a novel small-molecule for organic solar cells.RSC advances · 2025Article
- Tuning peripheral acceptors in pyran core functional materials to boost photovoltaic efficiency.Scientific reports · 2025Article
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Authors and funding
5 authors.
Funding
Abstract
This paper explores a novel group of D-π-A configurations that has been specifically created for organic solar cell applications. In these material compounds, the phenothiazine, the furan, and two derivatives of the thienyl-fused IC group act as the donor, the π-conjugated spacer, and the end-group acceptors, respectively. We assess the impact of substituents by introducing bromine atoms at two potential substitution sites on each end-group acceptor (EG1 and EG2). With the donor and π-bridge held constant, we have employed density functional theory and time-dependent DFT simulations to explore the photophysical and optoelectronic properties of tailored compounds (M1-M6). We have demonstrated how structural modifications influence the optoelectronic properties of materials for organic solar cells. Moreover, all proposed compounds exhibit a greater V
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