Fig. 6: Photocatalytic mechanism and DFT calculation results. | Nature Communications

Fig. 6: Photocatalytic mechanism and DFT calculation results.

From: Asymmetric coordination enhances the synergy of Pt species dual active sites for efficient photocatalytic H2 evolution

Fig. 6

ISI-XPS for a Pt 4f of PtSA/NP-TiO2, b Pt 4f of PtSA/NP-TiO2-xBx and c B 1s of PtSA/NP-TiO2-xBx. d Free energy diagrams for the water-dissociation process for Pt NPs and e Hydrogen adsorption for Pt SAs over the PtSA/NP-TiO2 and PtSA/NP-TiO2-xBx. f Charge density difference maps of PtSA/NP-TiO2 and PtSA/NP-TiO2-xBx. Electron accumulation is purple, and depletion is gray, and the green, cyan, white and yellow spheres depict the B, Pt, Ti and O atoms, respectively. g Project density of states for PtSA/NP-TiO2-xBx. h Mechanism of spin polarization for improved charge separation and synergistic PHE over the PtSA/NP-TiO2 and PtSA/NP-TiO2-xBx photocatalysts. Source data are provided as a Source Data file.

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