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Catalyst design by scanning probe block copolymer lithography.

Liliang Huang1, Peng-Cheng Chen1,2, Mohan Liu1

  • 1Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208.

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|March 25, 2018
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Summary
This summary is machine-generated.

Researchers designed new hydrogen evolution catalysts using scanning probe block copolymer lithography (SPBCL) and density-functional theory (DFT). A novel platinum-gold-copper (PtAuCu) nanocatalyst showed seven times higher activity than commercial catalysts.

Keywords:
catalysishydrogen evolution reactionlithographymultimetallic nanocatalyst

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Area of Science:

  • Materials Science
  • Catalysis
  • Nanotechnology

Background:

  • Developing efficient hydrogen evolution reaction (HER) catalysts is crucial for clean energy technologies.
  • Controlling catalyst composition and phase at the nanoscale is challenging but essential for optimizing performance.

Purpose of the Study:

  • To design and synthesize novel HER catalysts using a combination of computational and fabrication techniques.
  • To identify highly active electrocatalytic materials for hydrogen production in acidic media.

Main Methods:

  • Density-functional theory (DFT) calculations were employed to predict hydrogen adsorption energies on various elemental and alloy substrates.
  • Scanning probe block copolymer lithography (SPBCL) was used to synthesize catalyst nanoparticles with controlled stoichiometry and phase.
  • Electrochemical testing was performed to evaluate the HER activity of synthesized catalysts in acidic aqueous media.

Main Results:

  • DFT identified promising alloy compositions for HER catalysis.
  • A homogeneous PtAuCu alloy (18 nm, ~1:1:1 stoichiometry) was synthesized and demonstrated significant HER activity.
  • Bulk-prepared PtAuCu/C nanocatalysts exhibited seven times higher activity compared to commercial Pt/C catalysts, based on platinum content.

Conclusions:

  • The combined DFT and SPBCL approach is effective for discovering advanced HER catalysts.
  • PtAuCu alloy nanoparticles represent a highly active and promising class of electrocatalysts for hydrogen evolution.
  • SPBCL enables precise control over nanoparticle composition and phase, crucial for optimizing catalytic performance.