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Journal | J. Am. Chem. Soc. |
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Author | Long Luo, Zhiyao Duan, Hao Li, Joohoon Kim, Graeme Henkelman, and Richard M. Crooks |
Citation | J. Am. Chem. Soc., 2017, 139 (15), pp 5538?5546 |
DOI | https://doi.org/10.1021/jacs.7b01653 |
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.
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