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We developed a new thiolate-protected gold-silver nanocluster (Au36Ag2(SR)18) that efficiently catalyzes the hydrogen evolution reaction (HER). This nanocluster shows enhanced activity due to its unique structure and low ligand coverage, offering a promising strategy for renewable energy.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Electrochemistry

Background:

  • Crystalline gold (Au) and silver (Ag) are inefficient catalysts for the hydrogen evolution reaction (HER).
  • Ligands on colloidal nanoparticles often hinder catalytic activity.

Purpose of the Study:

  • To report a novel thiolate-protected Au36Ag2(SR)18 nanocluster for efficient HER catalysis.
  • To investigate the structure-activity relationship in a series of Au nanoclusters.

Main Methods:

  • Synthesis of thiolate-protected Au36Ag2(SR)18 nanoclusters.
  • Electrocatalytic testing for HER.
  • Density functional theory (DFT) calculations.

Main Results:

  • Au36Ag2(SR)18 exhibits high HER activity at lower overpotentials.
  • Its activity is significantly higher than Au25(SR)18- and Au38(SR)24 nanoclusters.
  • DFT calculations indicate lower hydrogen binding energy and higher electron affinity for Au36Ag2(SR)18.

Conclusions:

  • The Au36Ag2(SR)18 nanocluster's efficiency stems from low ligand coverage, low-coordinated Au atoms, and unfilled superatomic orbitals.
  • This work presents a strategy for creating active catalysts from inert metals using atomically precise nanoclusters with controlled structures.