Elucidating the active site on PdPt nanocatalysts supported by MoS2-x for the hydrogen evolution reaction.
- 1Department of Chemistry, Simon Fraser University 8888 University Drive Burnaby BC V5A 1S6 Canada [email protected] [email protected].
Abstract
High-resolution electron microscopy was combined with DFT analysis to uncover the hydrogen evolving active sites of highly effective PdPt nanocatalysts supported on desulfurized MoS₂ (PdPt/MoS2-x ). The PdPt/MoS2-x electrocatalysts were prepared by sequentially electrodepositing Pd and then Pt onto exfoliated and desulfurized MoS₂ nanosheets. This procedure, established in previous work, produced highly active electrocatalysts for the hydrogen evolution reaction (HER) compared with other similar nanocatalyst compositions. Computational modelling proposed that high HER activity could arise from both interactions between Pd and Pt atoms within a cluster composed of a mixture of the two metals, and from the interface between the MoS2-x substrate and a metal cluster with the opposite morphology (i.e., PtPd core-shell). High-resolution electron microscopy and elemental mapping revealed that the newly synthesized material had a PdPt core-shell morphology that, upon electrochemical cycling at potentials relevant to water electrolysis, transformed into a more homogeneous alloy with adjacent Pd-rich deposits. This 'activated' morphology aligned with the structures predicted to exhibit a high HER activity using DFT calculations.
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BibTeX
@article{hadley2026elucidating,
title = {{Elucidating the active site on PdPt nanocatalysts supported by MoS2-x for the hydrogen evolution reaction.}},
author = {Annabelle M K Hadley and Lanna E B Lucchetti and Sakshi Gautam and Samira Siahrostami and Byron D Gates},
journal = {RSC advances},
year = {2026},
month = oct,
doi = {10.1039/d6ra05145f},
url = {https://europepmc.org/article/MED/42948615},
note = {CC BY-NC},
}
RIS
TY - JOUR
TI - Elucidating the active site on PdPt nanocatalysts supported by MoS2-x for the hydrogen evolution reaction.
AU - Annabelle M K Hadley
AU - Lanna E B Lucchetti
AU - Sakshi Gautam
AU - Samira Siahrostami
AU - Byron D Gates
PY - 2026
DA - 2026/10/27
JO - RSC advances
DO - 10.1039/d6ra05145f
UR - https://europepmc.org/article/MED/42948615
AB - High-resolution electron microscopy was combined with DFT analysis to uncover the hydrogen evolving active sites of highly effective PdPt nanocatalysts supported on desulfurized MoS₂ (PdPt/MoS2-x ). The PdPt/MoS2-x electrocatalysts were prepared by sequentially electrodepositing Pd and then Pt onto exfoliated and desulfurized MoS₂ nanosheets. This procedure, established in previous work, produced highly active electrocatalysts for the hydrogen evolution reaction (HER) compared with other similar nanocatalyst compositions. Computational modelling proposed that high HER activity could arise from both interactions between Pd and Pt atoms within a cluster composed of a mixture of the two metals, and from the interface between the MoS2-x substrate and a metal cluster with the opposite morphology (i.e., PtPd core-shell). High-resolution electron microscopy and elemental mapping revealed that the newly synthesized material had a PdPt core-shell morphology that, upon electrochemical cycling at potentials relevant to water electrolysis, transformed into a more homogeneous alloy with adjacent Pd-rich deposits. This 'activated' morphology aligned with the structures predicted to exhibit a high HER activity using DFT calculations.
SN - 2046-2069
ER -