H2O Molecular Adsorption on the Tri-s-triazine-based graphitic Carbon Nitride (g-C3N4): A DFT-based study

Aspera Susan Menez; David Melanie Yadao; Kasai Hideaki

doi:10.14886/sssj2008.30.0.107.0

真空・表面科学合同講演会
（第30回表面科学学術講演会・第51回真空に関する連合講演会）
日本真空協会・社団法人日本表面科学会

セッションID: 4P-019

DOI https://doi.org/10.14886/sssj2008.30.0.107.0

会議情報

主催: 日本真空協会、社団法人日本表面科学会

11月4日（木）

H₂O Molecular Adsorption on the Tri-s-triazine-based graphitic Carbon Nitride (g-C₃N₄): A DFT-based study

*Aspera Susan Menez, David Melanie Yadao, Kasai Hideaki

著者情報

会議録・要旨集フリー

詳細

抄録

The study deals with adsorption of H₂O molecule on unit cell of g-C₃N₄ which was proven to be a photocatalyst that could split H₂O into H₂ and O₂ without any co-catalyst. Analysis shows that H₂O molecule prefers to be adsorbed on top of the two-coordinated nitrogen atom coincident with the valence band of material where the oxidation of H₂O starts.

責任著者(Corresponding author)

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