Surface morphology controls water dissociation on hydrated IrO ₂ nanoparticles

O interaction at equatorial vacant sites is weaker and thus the relative stability of molecular and dissociated forms becomes similar. Hydrogen bonding increases adsorption energy and favors water dissociation. Thus, tip and corner sites of the nanoparticle, with no oxygen bridge atoms nearby, exhibit the smallest adsorption energies and a preference for the molecular form. Overall, the presence of rather isolated tip and corner sites in the nanoparticle leads to lower adsorption energies and a smaller degree of water dissociation when compared with extended surfaces.