Fig. 2: Calculated structures, IET energies, and density of states for bimetallic metal/TiO2 composites. | Nature Communications

Fig. 2: Calculated structures, IET energies, and density of states for bimetallic metal/TiO2 composites.

From: Function-oriented design of robust metal cocatalyst for photocatalytic hydrogen evolution on metal/titania composites

Fig. 2

a, b for Pt7Rh6/TiO2(101), c, d for Pt7Cu6/TiO2(101), e, f for Pt7Ir6/TiO2(101), g, h for Rh7Pt6/TiO2(101), and i, j for Cu7Pt6/TiO2(101), respectively. The DOS (density of states; using the hybrid HSE06 functional) for M13 cluster and for TiO2 surface are represented by blue and yellow-green curves, respectively. The valance band edge of TiO2 is uniformly aligned to zero in DOS, and the vertical dot lines indicate the TiO2 CBM and the Ef position, respectively. Calculated IET energies are also given in eV.

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