Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting

The Z-scheme is an efficient route for hydrogen production from photocatalytic water splitting; however, there is no theoretical design for two-dimensional (2D) systems. In the present work, the 2D van der Waals (vdW) MoSe 2 /graphene/HfS 2 and MoSe 2 /N-doped graphene/HfS 2 nanocomposites are propo...

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Published inJournal of materials chemistry. A, Materials for energy and sustainability Vol. 4; no. 48; pp. 18892 - 18898
Main Authors Fu, Cen-Feng, Luo, Qiquan, Li, Xingxing, Yang, Jinlong
Format Journal Article
LanguageEnglish
Published 01.01.2016
Subjects
Computational efficiency
Density functional theory
Graphene
Hydrogen production
Nanocomposites
Photocatalysis
Photocatalysts
Water splitting
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Summary:The Z-scheme is an efficient route for hydrogen production from photocatalytic water splitting; however, there is no theoretical design for two-dimensional (2D) systems. In the present work, the 2D van der Waals (vdW) MoSe 2 /graphene/HfS 2 and MoSe 2 /N-doped graphene/HfS 2 nanocomposites are proposed to be promising candidates for Z-scheme photocatalysts and verified by density functional theory calculations. The fine control of the n-type doping on graphene can enhance the efficiency of solar energy utilization. Furthermore, the 2D vdW MoSe 2 /HfS 2 nanocomposite is shown to be a direct Z-scheme system for photocatalytic water splitting without redox mediators, which is more easily synthesized in experiment. Theoretical design of two-dimensional Z-scheme photocatalysts for hydrogen production from water splitting.
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ISSN:2050-7488
2050-7496
DOI:10.1039/c6ta08769h