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An extended chiral surface coordination network based on Ag7-clusters.

Katrine L Svane1, Mahdi S Baviloliaei2, Bjørk Hammer1

  • 1iNANO, Department of Physics and Astronomy, Aarhus University, Aarhus, 8000 Aarhus C, Denmark.

The Journal of Chemical Physics
|November 3, 2018
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Summary
This summary is machine-generated.

We discovered a novel chiral metal-coordinated structure formed by trimesic acid on a silver surface. This stable structure features large silver clusters coordinated by dehydrogenated trimesic acid molecules.

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Area of Science:

  • Surface science
  • Materials chemistry
  • Supramolecular chemistry

Background:

  • Self-assembly of organic molecules on metal surfaces is crucial for creating functional nanomaterials.
  • Trimesic acid (TMA) is a common building block for metal-organic frameworks and surface coordination structures.
  • Understanding the interplay between molecular structure and surface interactions guides the design of novel materials.

Purpose of the Study:

  • To investigate the formation and structure of metal-coordinated assemblies of trimesic acid on the Ag(111) surface.
  • To determine the stability and energetic favorability of different structural motifs.
  • To elucidate the role of metal-ligand bonding and surface interactions in directing self-assembly.

Main Methods:

  • Deposition of trimesic acid (TMA) onto a Ag(111) surface under ultra-high vacuum conditions.
  • Annealing the system to induce structural formation.
  • Characterization using Scanning Tunneling Microscopy (STM).
  • Theoretical analysis using Density Functional Theory (DFT) calculations.

Main Results:

  • Formation of an extended metal-coordinated structure at 510 K.
  • Identification of a novel structure comprising silver clusters (seven Ag atoms) coordinated by six dehydrogenated TMA molecules.
  • Observation of an asymmetrically arranged, chiral molecular configuration.
  • DFT calculations confirmed the lower free energy of this structure compared to lower-temperature hydrogen-bonded phases.
  • The stability is attributed to low silver adatom formation energy, strong Ag-O bonds, and favorable lattice matching.

Conclusions:

  • A stable, chiral metal-coordinated structure of TMA on Ag(111) can be formed at elevated temperatures.
  • This structure is energetically favored over previously observed hydrogen-bonded phases.
  • The formation of large metal clusters is facilitated by specific properties of silver and the Ag-O interaction.