Adsorption and photocatalytic splitting of water on graphitic carbon nitride: a combined first principles and semiempirical study

Graphitic carbon nitride, g-C 3 N 4 , is a promising organic photo-catalyst for a variety of redox reactions. In order to improve its efficiency in a systematic manner, however, a fundamental understanding of the microscopic interaction between catalyst, reactants and products is crucial. Here we pr...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2014-01, Vol.16 (3), p.15917-15926
Hauptverfasser: Wirth, Jonas, Neumann, Rainer, Antonietti, Markus, Saalfrank, Peter
Format: Artikel
Sprache:eng
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