Fig. 1: Theoretical prediction, characterization and application of NiPS3 UNSs. | Nature Communications

Fig. 1: Theoretical prediction, characterization and application of NiPS3 UNSs.

From: NiPS3 ultrathin nanosheets as versatile platform advancing highly active photocatalytic H2 production

Fig. 1

a Active P, S2 and S3 sites for HER at (100) edge of NiPS3 monolayer. b Active S site for HER at (010) edge of NiPS3 monolayer. c Active P1, S2, S3 and S8 sites for HER at (1–30) edge of NiPS3 monolayer. d Gibbs free energy diagrams for HER following the Volmer–Heyrovsky pathway on the active sites at (100) edge, (010) edge or (1−30) edge of NiPS3 monolayer. e Gibbs free energy diagrams for HER following the Volmer–Tafel pathway on the active sites at (100) or (1−30) edge of NiPS3 monolayer. Atomic-resolution HAADF-STEM images for f basal plane and g edge of NiPS3 UNSs. Synchrotron-based XANES h Ni L2,3 edges of NiPS3 UNSs. i Photocatalytic H2-production rates for TiO2, NiPS3/TiO2, CdS, NiPS3/CdS, In2ZnS4, NiPS3/In2ZnS4, C3N4 and NiPS3/C3N4 in ~17.0 vol% triethanolamine aqueous solution. Among them, TiO2 and NiPS3/TiO2 were excited by xenon light without cut-off filter. CdS, NiPS3/CdS, In2ZnS4, NiPS3/In2ZnS4, C3N4 and NiPS3/C3N4 were excited by visible-light irradiation (λ > 400 nm). All the Gibbs free energies were calculated considering the solvation effect in 17 vol% triethanolamine aqueous solution.

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