First-principles study of the adsorption of water on tri-s-triazine-based graphitic carbon nitride

First-principles study of the adsorption of water on tri-s-triazine-based graphitic carbon nitride

As an initial step towards understanding the mechanism behind photocatalysis in graphitic carbon nitride (g-C3N4), we present a first-principles density functional theory (DFT) study of H 2O molecular adsorption on the tri-s-triazine-based structure. The optimization of the system determined that th...

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Bibliographic Details
Main Authors: Aspera, Susan Meñez, David, Melanie, Kasai, Hideaki
Format: text
Published: Animo Repository 2010
Subjects:
Carbon nitride
Photocatalysis
Structural optimization
Adsorption
Water clusters
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/3732
https://animorepository.dlsu.edu.ph/context/faculty_research/article/4734/type/native/viewcontent/JJAP.49.115703
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Institution: De La Salle University

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https://animorepository.dlsu.edu.ph/faculty_research/3732
https://animorepository.dlsu.edu.ph/context/faculty_research/article/4734/type/native/viewcontent/JJAP.49.115703

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