Fig. 4
From: Platinum clusters with precise numbers of atoms for preparative-scale catalysis
Styrene hydrogenation and its reaction barriers under the existence of platinum catalysts. a Hydrogen insertion processes into α-carbon and β-carbon, and the corresponding transition states with Pt10 catalyst. b Calculated reaction barriers under the existence of Pt8, Pt9, or Pt10 catalyst. Density functional theory calculations were performed at the B3LYP/LanL2DZ and 6–31 G (d, p) level of theory
