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Photocatalytic_HOF_Day_Cooper_ChemRxiv.docx (16.67 MB)

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

submitted on 09.12.2019, 13:54 and posted on 23.12.2019, 22:43 by 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
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.


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).


Email Address of Submitting Author


University of Liverpool


United Kingdom

ORCID For Submitting Author


Declaration of Conflict of Interest

The authors declare no conflict of interest.