期刊
MACROMOLECULAR CHEMISTRY AND PHYSICS
卷 217, 期 3, 页码 344-353出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/macp.201500432
关键词
conjugated polymer; carbon nitride; density functional theory; photocatalysis; water splitting
资金
- UK Engineering and Physical Sciences Research Council (EPSRC) [EP/I004424/1, EP/N004884/1]
- EPSRC [EP/I004424/1, EP/J003921/1, EP/N004884/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/N004884/1, EP/I004424/1, EP/J003921/1] Funding Source: researchfish
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.
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