Red‐emitting tetraphenylethylene derivative with aggregation‐induced enhanced emission for luminescent solar concentrators: A combined experimental and density functional theory study

Abstract

Abstract This study examines the use of an aggregation‐induced enhanced emission fluorophore (TPE‐MRh) to prepare red‐emitting luminescent solar concentrators (LSCs) based on poly(methyl methacrylate) (PMMA) and poly(cyclohexyl methacrylate) (PCMA). TPE‐MRh is a tetraphenylethylene (TPE) derivative bearing two dimethylamino push groups and a 3‐methyl‐rhodanine pull moiety, with absorption maxima at around 500 nm and fluorescence peak at 700 nm that strongly increases in solid‐state. TPE‐MRh displays a typical crystallization‐induced enhanced emission that has been rationalized by modeling the compound behavior in solution and solid‐state via density functional theory calculations with the inclusion of the environment. TPE‐MRh dispersed into 5 × 5 cm2 polymer films with a thickness of 25 ± 5 μm has revealed a partial fluorescence quenching with fluorophore content. Quantum yields (QYs) below 10% for the 2 wt.% of doping have been addressed to the formation of less emissive micro‐sized clusters of fluorophores. PMMA slabs with the same surface size but 3 mm of thickness and 200 ppm of TPE‐MRh have provided QY of 36.5% thanks to the attenuation of the detrimental effects of fluorophore aggregation. This feature is reflected in the LSCs performance, with devices achieving the largest power collected by the photovoltaic cell.

Keywords

• aggregation‐induced enhanced emission
• density functional theory
• luminescent solar concentrators
• poly(methyl methacrylate)
• tetraphenylethylene core