title: Tunability of the Adsorbate Binding on Bimetallic Alloy Nanoparticles for the Optimization of Catalytic Hydrogenation.
abstract: In this paper, we show that PtAu and PdAu random alloy dendrimer-encapsulated nanoparticles with an average size of ∼1.6 nm have different catalytic activity trends for allyl alcohol hydrogenation. Specifically, PtAu nanoparticles exhibit a linear increase in activity with increasing Pt content, whereas PdAu dendrimer-encapsulated nanoparticles show a maximum activity at a Pd content of ∼60%. Both experimental and theoretical results suggest that this contrasting behavior is caused by differences in the strength of H binding on the PtAu and PdAu alloy surfaces. The results have significant implications for predicting the catalytic performance of bimetallic nanoparticles on the basis of density functional theory calculations.
authors.forename: Long
authors.initials: L
authors.lastname: Luo
authors.forename: Zhiyao
authors.initials: Z
authors.lastname: Duan
authors.forename: Hao
authors.initials: H
authors.lastname: Li
authors.affiliation: Department of Chemistry, KHU-KIST Department of Converging Science and Technology, Research Institute for Basic Sciences, Kyung Hee University , Seoul, South Korea.
authors.forename: Joohoon
authors.initials: J
authors.lastname: Kim
authors.forename: Graeme
authors.identifier: 0000-0002-0336-7153
authors.initials: G
authors.lastname: Henkelman
authors.forename: Richard M
authors.identifier: 0000-0001-5186-4878
authors.initials: RM
authors.lastname: Crooks