Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Zhou, Siyu; Figueras‐Valls, Marc; Shi, Yifeng; Ding, Yong; Mavrikakis, Manos; Xia, Younan

doi:10.1002/ange.202306906

Title: Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Journal Article · 17 August 2023 · Angewandte Chemie

DOI: https://doi.org/10.1002/ange.202306906 · OSTI ID:1996053

^[1]; Figueras‐Valls, Marc ^[2];

^[1]; Ding, Yong ^[3];

^[2];

^[4]

School of Chemical and Biomolecular Engineering Georgia Institute of Technology Atlanta GA 30332 USA
Department of Chemical and Biological Engineering University of Wisconsin-Madison Madison WI 53706 USA
School of Materials Science and Engineering Georgia Institute of Technology Atlanta GA 30332 USA
School of Chemical and Biomolecular Engineering Georgia Institute of Technology Atlanta GA 30332 USA, The Wallace H. Coulter Department of Biomedical Engineering Georgia Institute of Technology and Emory University Atlanta GA 30332 USA, School of Chemistry and Biochemistry Georgia Institute of Technology Atlanta GA 30332 USA

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH _x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH _x ( x =0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

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Sponsoring Organization:: USDOE

OSTI ID:: 1996053

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 42 Vol. 135; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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