ArticleRSC advances2026
Modulating the photophysical properties of perylene-based light-harvesting materials
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
4 authors.
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Abstract
The design of light-harvesting materials is fundamentally rooted in controlling the photophysical and photochemical properties. Herein, we investigate bay-functionalized light harvesting perylenediimides (PDIs) by applying this principle to atomistically defined perylene-based nanographene molecular models. Our approach combines computational modeling (CAM-B3LYP-D3) with a suite of experimental techniques, including steady-state UV-vis absorption, steady-state and time-resolved emission, and electrochemical analysis. The synergistic combination of bay-induced twisting and electron donation is predicted to preferentially destabilize the Highest Occupied Molecular Orbital (HOMO) relative to the Lowest Unoccupied Molecular Orbital (LUMO), activating partial Charge Transfer (CT) character in the primary electronic transition (predominantly HOMO → LUMO). This is visually confirmed by Electron Density Difference (EDD) maps and supported by a calculated increase in dipole moment magnitude (Δ
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