Guiglion, P;
Butchosa, C;
Zwijnenburg, MA;
(2016)
Polymer photocatalysts for water splitting: insights from computational modeling.
Macromolecular Chemistry and Physics
, 213
(3)
pp. 344-353.
10.1002/macp.201500432.
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Abstract
Based on insights from computational chemistry calculations, the ability of polymers to act as water splitting photocatalysts for the production of renewable hydrogen from water and sunlight is discussed. Specifically, the important role of exciton dissociation in these materials is highlighted, as well as the possible microscopic origins of the experimentally observed changes in the photocatalytic activity of a polymer with increasing chain length or changing chemical composition. The reason why water oxidation, with polymeric photocatalysts, is difficult, and which polymer properties to target when developing new polymers for water splitting photocatalysis are, finally, also discussed.
| Type: | Article |
|---|---|
| Title: | Polymer photocatalysts for water splitting: insights from computational modeling |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1002/macp.201500432 |
| Publisher version: | http://dx.doi.org/10.1002/macp.201500432 |
| Additional information: | © 2015 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
| Keywords: | conjugated polymer, carbon nitride, density functional theory, photocatalysis, water splitting |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1476611 |
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