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Single-Atom Catalysts on Goldene.

Silvia Picello1, Elisabetta Inico1, Clara Saetta1

  • 1Department of Materials Science, University of Milano-Bicocca, Via Cozzi 55, 20125 Milano, Italy.

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|July 10, 2025
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Summary
This summary is machine-generated.

New single-atom catalysts (SACs) on goldene, a novel 2D gold material, show promising stability and reactivity for hydrogen and oxygen evolution reactions, outperforming traditional supports.

Keywords:
DFTHEROERSACgoldene

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Area of Science:

  • Materials Science
  • Catalysis
  • Surface Chemistry

Background:

  • Single-atom catalysis relies on metal-support interactions for stability and reactivity.
  • Two-dimensional materials like graphene are common supports, with single-atom alloys (SAAs) gaining attention.
  • Goldene, a 2D gold monolayer, was recently synthesized as a potential graphene analogue.

Purpose of the Study:

  • To explore single-atom catalysts (SACs) with transition metal (TM) atoms supported on goldene.
  • To investigate the stability and catalytic performance of these TM-goldene systems.
  • To compare their reactivity against TMs on bulk gold(111).

Main Methods:

  • Electronic structure calculations were employed.
  • Stability under reducing and oxidizing conditions was assessed.
  • Catalytic performance for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) was evaluated.

Main Results:

  • Several stable TM-goldene systems were identified under various conditions.
  • Certain TM-goldene systems demonstrated promising HER and OER activity.
  • Reactivity differed significantly compared to TMs on bulk Au(111).

Conclusions:

  • TM-goldene SACs offer potential for enhanced stability and catalytic reactivity.
  • This study provides theoretical evidence for goldene as a novel support material.
  • The findings suggest new avenues for designing advanced single-atom catalysts.