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The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
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Semiconductor-metal transition induced by nanoscale stabilization.

Nicolas G Hörmann1, Axel Gross, Payam Kaghazchi

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Summary

Tin nanoparticles smaller than 8 nm stabilize in the metallic β-phase, regardless of temperature. This metallic phase remains stable up to 40 nm at ambient temperatures, impacting battery anode performance.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Physical Chemistry

Background:

  • Bulk tin (Sn) transitions from semiconducting α-phase to metallic β-phase above 13.2 °C.
  • Nanostructured materials exhibit unique properties compared to their bulk counterparts.

Purpose of the Study:

  • Investigate the size and temperature-dependent structure of tin nanoparticles.
  • Determine the phase stability of tin nanoparticles.

Main Methods:

  • Density Functional Theory (DFT) calculations.
  • Thermodynamic considerations.

Main Results:

  • Tin nanoparticles < 8 nm crystallize in the β-phase, irrespective of temperature.
  • The β-phase is thermodynamically stable for Sn nanoparticles up to 40 nm at ambient temperatures (>-40 °C).
  • Nanoscale stabilization, driven by lower surface energies of the β-phase, causes this phase transition.

Conclusions:

  • The atomic structure and conductivity of nanostructured tin anodes are significantly influenced by size and temperature.
  • Nanoscale stabilization of the metallic β-phase in tin offers a potential design strategy for advanced anode materials in lithium-based batteries.