Table 2 The calculated reconstruction energies (in eV) for both dye and surface, and interaction energy of dye with the surface (E _int in eV) for selected adsorption configurations of model dyes.

\({E}_{\mathrm{Re}\,construction}^{Surface}\)

0.26

1.51

1.44

1.00

\({E}_{\mathrm{Re}\,construction}^{Dye}\)

0.10

0.28

0.22

0.12

E _int

−1.77

−2.98

−2.82

−2.73