Structurally diverse covalent triazine-based framework materials for photocatalytic hydrogen evolution from water

Meier, Christian B. and Clowes, Rob and Berardo, Enrico and Jelfs, Kim E. and Zwijnenburg, Martijn A. and Sprick, Reiner Sebastian and Cooper, Andrew I. (2019) Structurally diverse covalent triazine-based framework materials for photocatalytic hydrogen evolution from water. Chemistry of Materials, 31 (21). 8830–8838. ISSN 0897-4756 (https://doi.org/10.1021/acs.chemmater.9b02825)

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Abstract

A structurally diverse family of 39 covalent triazine-based framework materials (CTFs) are synthesized by Suzuki-Miyaura polycondensation and tested as hydrogen evolution photocatalysts using a high-throughput workflow. The two best-performing CTFs are based on benzonitrile and dibenzo[b,d]thiophene sulfone linkers, respectively, with catalytic activities that are among the highest for this material class. The activities of the different CTFs are rationalized in terms of four variables: the predicted electron affinity, the predicted ionization potential, the optical gap, and the dispersibility of the CTFs particles in solution, as measured by optical transmittance. The electron affinity and dispersibility in solution are found to be the best predictors of photocatalytic hydrogen evolution activity.

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