Table 1.

Geometry modification of titania surface by ruthenium ion functionalization, doping replacement energy, and water-to-surface binding energy.

	Me=Ti	Me=Ru
dMe−O,‖ Å,	1.977 ± .1	1.982 ± .1
dMe−O,⊥ Å,	1.842 ± .005	1.844 ± .003
$E_{Me}^{\mathit{\text{bind}}}$, eV,	0	6.4237
$E_{Me-H_{2}O}^{\mathit{\text{bind}}}$, eV,	−0.2612	−0.3365