Platinum nanoparticles on the antimony-doped tin dioxide surface: Quantum-chemical modeling

The interaction of Pt₂₉ nanoparticles with pristine and reduced (110) and (100) SnO₂ surfaces doped with Sb has been modeled using the density functional theory method within the generalized gradient approximation (GGA). It has been demonstrated that the introduction of antimony contributes to dispersion of substrate particles and, in some cases, leads to an increase in the energy of interaction with platinum and to the fixation of platinum nanoparticles on the surface.