Mechanism of photocatalytic water splitting with triazine-based carbon nitrides: insights from ab initio calculations for the triazine-water complex

Polymeric carbon-nitride materials consisting of triazine or heptazine units have recently attracted vast interest as photocatalysts for water splitting with visible light. Adopting the hydrogen-bonded triazine-water complex as a model system, we explored the photochemical reaction mechanisms involv...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2018, Vol.20 (21), p.14420-14430
Hauptverfasser:	Ehrmaier, Johannes, Janicki, Mikołaj J, Sobolewski, Andrzej L, Domcke, Wolfgang
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon Chemical bonds Decomposition reactions Electronic structure Hydrogen Hydrogen bonding Hydroxyl radicals Molecular chains Nitrides Oxidation Photocatalysis Photochemical reactions Reaction mechanisms Water splitting
Online-Zugang:	Volltext
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