Ab initio methodology 2 Adsorption 2 Adsorption energies 2 Aqueous solutions 2 Calculations 2 Continuum solvation models 2 Density functional theory 2 First-principles calculation 2 Formates 2 Formic acid 2 Gasphase 2 Hydrogen Peroxide 2 Hydrogen peroxide 2 Methanol 2 Molecular adsorption 2 Monolayers 2 Oxide minerals 2 Particle Size 2 Periodic boundary conditions 2 Phase interfaces 2 Quantum Theory 2 Reaction kinetics 2 Solid-liquid boundary 2 Solid-liquid interfaces 2 Solutions 2 Surface Properties 2 Surface reactivity 2 TiO 2 Titania surfaces 2 Titanium 2