Dual donor-acceptor covalent organic frameworks for hydrogen peroxide photosynthesis.

Qin, Chencheng; Wu, Xiaodong; Tang, Lin; Chen, Xiaohong; Li, Miao; Mou, Yi; Su, Bo; Wang, Sibo et al. · Nat Commun · 2023

basic_science · Level V

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Abstract

Constructing photocatalytically active and stable covalent organic frameworks containing both oxidative and reductive reaction centers remain a challenge. In this study, benzotrithiophene-based covalent organic frameworks with spatially separated redox centers are rationally designed for the photocatalytic production of hydrogen peroxide from water and oxygen without sacrificial agents. The triazine-containing framework demonstrates high selectivity for H<sub>2</sub>O<sub>2</sub> photogeneration, with a yield rate of 2111 μM h<sup>-1</sup> (21.11 μmol h<sup>-1</sup> and 1407 μmol g<sup>-1</sup> h<sup>-1</sup>) and a solar-to-chemical conversion efficiency of 0.296%. Codirectional charge transfer and large energetic differences between linkages and linkers are verified in the double donor-acceptor structures of periodic frameworks. The active sites are mainly concentrated on the electron-acceptor fragments near the imine bond, which regulate the electron distribution of adjacent carbon atoms to optimally reduce the Gibbs free energy of O<sub>2</sub>* and OOH* intermediates during the formation of H<sub>2</sub>O<sub>2</sub>.