Janus PtSSe-based van der Waals heterostructures for direct Z-scheme photocatalytic water splitting
Document Type
Article
Publication Date
5-13-2024
Department
Department of Physics
Abstract
The semiconductor photocatalysts based on van der Waals heterostructures (vdWHs) and direct Z-scheme mechanism are viable candidates for water splitting using sunlight. In this study, we exploit the combined effects of the inherent dipole in a Janus PtSSe monolayer and the intrinsic electric field present at the interface of Janus PtSSe-based vdWHs for water splitting. These vdWHs exhibit type-II band edge position, narrow band gap and intrinsic electric fields, establishing them as prototypical direct Z-scheme systems. Remarkably, the density functional theory-based results find the potential drop of ∼0.2–3.2 eV across the interface of vdWHs, promoting the interlayer photogenerated carrier's recombination while suppressing the intralayer charge transfer, which leads to a direct Z-scheme charge transfer pathway with robust redox capabilities. In conjunction with redox reactions, the built-in electric field at the interface generates sufficient driving force for the photogenerated carrier's separation. Also, these Janus PtSSe-based vdWHs possess exceptional abilities in capturing visible light with high solar-to-hydrogen (STH) conversion efficiency. The results obtained from this study are important to designing efficient direct Z-scheme photocatalysts for splitting water under sunlight and offer valuable insights for potential commercial implementations.
Publication Title
International Journal of Hydrogen Energy
Recommended Citation
Jamdagni, P.,
Kumar, A.,
Srivastava, S.,
Pandey, R.,
&
Tankeshwar, K.
(2024).
Janus PtSSe-based van der Waals heterostructures for direct Z-scheme photocatalytic water splitting.
International Journal of Hydrogen Energy,
66, 268-277.
http://doi.org/10.1016/j.ijhydene.2024.04.118
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p2/672
