Rapid Synthesis of Rhodium-Palladium Alloy Nanocatalysts

Piburn, Graham W.; Li, Hao; Kunal, Pranaw; Henkelman, Graeme; Humphrey, Simon M.

doi:10.1002/cctc.201701133

Title: Rapid Synthesis of Rhodium-Palladium Alloy Nanocatalysts

Journal Article · 14 July 2017 · ChemCatChem

DOI: https://doi.org/10.1002/cctc.201701133 · OSTI ID:1543478

Piburn, Graham W. ^[1]; Li, Hao ^[1]; Kunal, Pranaw ^[1]; Henkelman, Graeme ^[1];

^[1]

Univ. of Texas, Austin, TX (United States). Dept. of Chemistry

The chemistry of metastable RhPd alloys is not well understood, and well-characterized nanoparticle (NP) examples remain rare. Well-defined and near-monodisperse RhPd NPs were prepared in a simple one-pot approach by using microwave-assisted or conventional heating in reaction times as short as 30 s. The catalytic hydrogenation activity of supported RhPd NP catalysts revealed that short synthesis times resulted in the most-active and most-stable hydrogenation catalysts, whereas longer synthesis times promoted partial Rh-Pd core–shell segregation. Relative to Rh NPs, RhPd NPs resisted deactivation over longer reaction times. Density functional theory (DFT) was employed to estimate the binding energies of H and alkenes on (1 1 1) Rh, Pd, and Rh_0.5Pd_0.5 surfaces. The DFT results concurred with experiment and concluded that the alkene hydrogenation activity trend was of the order Pd

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE

OSTI ID:: 1543478

Journal Information:: ChemCatChem, Vol. 10, Issue 1; ISSN 1867-3880

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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