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Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
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Direct strain correlations at the single-atom level in three-dimensional core-shell interface structures.

Hyesung Jo1, Dae Han Wi2, Taegu Lee3

  • 1Department of Physics, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, South Korea.

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Strain engineering in core-shell nanoparticles like Palladium@Platinum (Pd@Pt) directly links surface and interface strain. Understanding this relationship at the atomic level allows for precise control over catalytic properties, such as oxygen reduction reaction activity.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Catalysis

Background:

  • Core-shell nanomaterials are key examples of strain-engineered materials.
  • Lattice mismatch in core-shell structures induces interface strain, influencing surface properties and catalytic activity.
  • Precise control of catalytic functions requires understanding the atomic-scale relationship between surface and interface strain.

Purpose of the Study:

  • To elucidate the relationship between surface and interface strain in core-shell nanoparticles at the atomic scale.
  • To investigate the impact of strain on the surface structure and catalytic properties of Palladium@Platinum (Pd@Pt) nanoparticles.

Main Methods:

  • Determined the full 3D atomic structure of Pd@Pt core-shell nanoparticles using atomic electron tomography.
  • Obtained 3D displacement fields and strain profiles of the nanoparticles.
  • Corroborated strain anisotropy using molecular statics simulations.

Main Results:

  • Revealed a direct correlation between surface and interface strain in Pd@Pt core-shell nanoparticles.
  • Demonstrated strong shape-dependent anisotropy in strain distributions.
  • Successfully predicted surface oxygen reduction reaction activities based on observed surface strains.

Conclusions:

  • Provides a deep understanding of structure-property relationships in strain-engineered core-shell systems.
  • Enables direct control over catalytic properties by fine-tuning misfit strain.
  • Highlights the potential for designing advanced catalysts through atomic-level strain engineering.