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Al13@Pt42 core-shell cluster for oxygen reduction reaction.

B B Xiao1, Y F Zhu1, X Y Lang1

  • 1Key Laboratory of Automobile Materials, Ministry of Education, and School of Materials Science and Engineering, Jilin University, Changchun 130022, China.

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|June 7, 2014
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Summary
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A novel core-shell catalyst, Al13@Pt42, enhances oxygen reduction reaction (ORR) efficiency in fuel cells. This design boosts platinum utilization to 70% by preventing poisoning and oxidation, overcoming limitations of smaller Pt nanoparticles.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Platinum (Pt) nanoparticles are crucial for oxygen reduction reaction (ORR) in fuel cells.
  • Small Pt particle sizes enhance utilization but are limited by poisoning and oxidation.
  • Current Pt utilization is low (20%) for particles below 2.6 nm.

Purpose of the Study:

  • To design a novel catalyst for efficient ORR with high Pt utilization.
  • To overcome poisoning and oxidation issues in small Pt nanoparticles.
  • To investigate the catalytic mechanism of a new core-shell cluster catalyst.

Main Methods:

  • Density functional theory (DFT) calculations were employed.
  • A core-shell Al13@Pt42 cluster catalyst was computationally developed.
  • The ORR mechanism and catalytic properties were analyzed.

Main Results:

  • The Al13@Pt42 cluster demonstrated significantly enhanced Pt utilization (up to 70%).
  • Covalent Pt-Al bonding activated edge Pt atoms, preventing poisoning and oxidation.
  • Oxygen adsorption energy was optimal, and OH-poisoning was not observed.
  • The rate-limiting step was OH formation with a comparable energy barrier to Pt(111).

Conclusions:

  • The core-shell Al13@Pt42 cluster is a promising catalyst for ORR.
  • Alloying with Al effectively enhances Pt catalytic activity and stability.
  • This approach offers a pathway to overcome limitations of traditional Pt nanoparticle catalysts.