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April 24, 2026Physical Chemistry Chemical Physics0 citations

Intrinsic Reactivity and Competitive Ligand Binding at an Isolated Cu+ Site: Implications for Single-Atom CO Oxidation

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JRJ. Ulises RevelesCFC. M. FrameKSKhaled M. Saoud

Key Points

  • To analyze the intrinsic reactivity and competitive ligand binding of isolated Cu+ sites for single-atom catalysis.
  • Utilized laser-vaporization high-pressure mass spectrometry to investigate isolated metal centers.
  • Employed density functional theory for computational analysis of reactivity and binding phenomena.
  • Identified key parameters influencing reactivity at isolated Cu+ sites.
  • Demonstrated competitive ligand binding effects that could impact single-atom catalysis efficiency.

Abstract

Understanding the intrinsic reactivity of isolated metal centers is essential for defining the fundamental limits of single-atom catalysis. Here, we combine laser-vaporization high-pressure mass spectrometry with density functional theory to...

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Cite This Study

Reveles et al. (2026) studied this question.

synapsesocial.com/papers/69eb08ef553a5433e34b39fdhttps://doi.org/10.1039/d5cp05066a
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