Pressure-driven steric hindrance engineering for maximizing photoluminescence in covalent organic frameworks.

Wang, Yixuan; Liu, Yaozu; Wang, Zitao; Yang, Binhao; Yang, Xinyi; Fang, Qianrong; Zou, Bo · Sci Adv · 2026

basic_science · Level V

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Abstract

Covalent organic frameworks (COFs) are promising platforms for smart photoluminescent (PL) materials, but their emission is often quenched by π-π stacking-induced nonradiative transitions. Here, we use a pressure-treatment strategy on a series of sterically engineered pyrene-based imine COFs-Py-Da-COF, Py-Da-2CH<sub>3</sub>-COF, and Py-Da-4CH<sub>3</sub>-COF-to achieve steric-hindrance-responsive PL enhancement. Notably, the pressure-treated Py-Da-4CH<sub>3</sub>-COF exhibits an increase in PL quantum yield, reaching a record-high value of 91.5% from the initial 14.7%. Experimental and theoretical analyses reveal that the bulky methyl substituents elevate the phase transition barrier, locking the COF into an irreversible a quasi-AB stacking configuration. This structural rearrangement suppresses π-π interactions and restricts carbon-hydrogen vibrations, minimizing nonradiative decay. Our work establishes a generalizable approach to designing high-performance PL COFs for practical optoelectronic applications.