Photocatalytic Proton Reduction by a Computationally Identified, Molecular Hydrogen-Bonded Framework

Catherine Aitchison; Christopher M. Kane; David P. McMahon; Peter Spackman; Angeles Pulido; Xiaoyan Wang; Liam Wilbraham; Linjiang Chen; Rob Clowes; Martijn Zwijnenburg; Seb Sprick; Marc Little; Graeme Day; Andrew
I. Cooper

doi:10.26434/chemrxiv.11341850.v1

Working Paper

Abstract

For the first time, a hydrogen-bonded organic framework is shown to be an effective photocatalyst for the production of hydrogen from water. The crystal structure of this molecular material is found to be key to good activity with a chemically identical but amorphous version showing orders of magnitude lower proton reduction rates.

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Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework

Catherine M. Aitchison, Christopher M. Kane, David P. McMahon, Peter R. Spackman, Angeles Pulido, Xiaoyan Wang, Liam Wilbraham, Linjiang Chen, Rob Clowes, Martijn A. Zwijnenburg, Reiner Sebastian Sprick, Marc A. Little, Graeme M. Day, Andrew I. Cooper journal article

Journal of Materials Chemistry A , Volume 8, Issue 15

Online publication date: 2020

Version History

Dec 23, 2019 Version 1

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The content is available under CC BY 4.0 License CreativeCommons.org

DOI

10.26434/chemrxiv.11341850.v1

Funding

EPSRC, EP/N004884/1.

European Union’s Seventh Framework Programme (FP/2007-2013)/ERC through grant agreement numbers 321156 (ERC-AG-PE5-ROBOT) and 307358 (ERC-stG-2012-ANGLE).

Leverhulme Research Centre for Functional Materials Design,

ARCHER UK National Supercomputing Service, via our member-ship of the UK's HEC Materials Chemistry Consortium funded by EPSRC (EP/L000202, EP/R029431).

Author’s competing interest statement

The authors declare no conflict of interest.

Keywords

photocatalysis

crystal structure prediction

hydrogen production

hydrogen-bonded organic framework

crystal engineering

Publication

This content is an early or alternative research output and has not been peer-reviewed at the time of posting.