Issue 2, 2015

Restructuring and Hydrogen Evolution on Pt Nanoparticle


The restructuring of nanoparticles at the in situ condition is a common but complex phenomenon in nanoscience. Here, we present the first systematic survey on the structure dynamics and its catalytic consequence for hydrogen evolution reaction (HER) on Pt nanoparticles, as represented by a magic number Pt44 octahedron (∼1 nm size). Using a first principles calculation based global structure search method, we stepwise follow the significant nanoparticle restructuring under HER conditions as driven by thermodynamics to expose {100} facets, and reveal the consequent large activity enhancement due to the marked increase of the concentration of the active site, being identified to be apex atoms. The enhanced kinetics is thus a “byproduct” of the thermodynamical restructuring. Based on the results, the best Pt catalyst for HER is predicted to be ultrasmall Pt particles without core atoms, a size below ∼20 atoms.

Graphical abstract: Restructuring and Hydrogen Evolution on Pt Nanoparticle

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Article information

Article type
Edge Article
12 Sep 2014
25 Nov 2014
First published
26 Nov 2014
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY license

Chem. Sci., 2015,6, 1485-1490

Author version available

Restructuring and Hydrogen Evolution on Pt Nanoparticle

G. Wei and Z. Liu, Chem. Sci., 2015, 6, 1485 DOI: 10.1039/C4SC02806F

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