Structurally Diverse Covalent Triazine-based Framework Materials for Photocatalytic Hydrogen Evolution from Water

CM Chemistry of Materials Journal

A structurally diverse family of 39 covalent triazine-based framework materials (CTFs) is 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 the best predictors of photocatalytic hydrogen evolution activity.

For details: Structurally Diverse Covalent Triazine-based Framework Materials for Photocatalytic Hydrogen Evolution from Water Christian

B. Meier,^a Rob Clowes,^a Enrico Berardo,^c Kim E. Jelfs,^c Martijn A. Zwijnenburg,^b Reiner Sebastian Sprick,^a and Andrew I. Cooper ^a

^a Department of Chemistry and Materials Innovation Factory, 51 Oxford Street, Liverpool L7 3NY, U.K.

^b Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.

^c Department of Chemistry, Molecular Sciences Research Hub, Imperial College London, White City Campus, Wood Lane, London W12 0BZ, U.K.

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CM Chemistry of Materials Journal

DOI: 10.1021/acs.chemmater.9b02825

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