Polymer Photocatalysts for Water Splitting: Insights from Computational Modeling

被引：70

作者：

Guiglion, Pierre ^{[1
]}

Butchosa, Cristina ^{[1
]}

Zwijnenburg, Martijn A. ^{[1
]}

机构：

[1] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England

来源：

MACROMOLECULAR CHEMISTRY AND PHYSICS | 2016年 / 217卷 / 03期

基金：

英国工程与自然科学研究理事会;

关键词：

conjugated polymer; carbon nitride; density functional theory; photocatalysis; water splitting; GRAPHITIC CARBON NITRIDE; COVALENT ORGANIC FRAMEWORK; TRIAZINE-BASED FRAMEWORKS; HYDROGEN EVOLUTION; OPTICAL-PROPERTIES; LIGHT; POLY(2,2-BIPYRIDINE-5,5-DIYL); SPECTRA; H-2;

D O I：

10.1002/macp.201500432

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

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.

引用

页码：344 / 353

页数：10

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