Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters
arxiv(2024)
Abstract
Energy- and resource-efficient electrocatalytic water splitting is of
paramount importance to enable sustainable hydrogen production. The best bulk
catalyst for the hydrogen evolution reaction (HER), i.e., platinum, is one of
the scarcest elements on Earth. The use of raw material for HER can be
dramatically reduced by utilizing nanoclusters. In addition, nanoalloying can
further improve the performance of these nanoclusters. In this paper, we
present results for HER on nanometer-sized ligand-free AuPt nanoclusters
grafted on carbon nanotubes. These results demonstrate excellent monodispersity
and a significant reduction of the overpotential for the electrocatalytic HER.
We utilize atomistic machine learning techniques to elucidate the atomic-scale
origin of the synergistic effect between Pt and Au. We show that the presence
of surface Au atoms, known to be poor HER catalysts, in a Pt(core)/AuPt(shell)
nanocluster structure, drives an anomalous enhancement of the inherently high
catalytic activity of Pt atoms.
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