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Related Concept Videos

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
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The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
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Reduction of Alkenes: Catalytic Hydrogenation02:13

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
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Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation02:24

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Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.
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Preparation of Silver-Palladium Alloyed Nanoparticles for Plasmonic Catalysis under Visible-Light Illumination
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Catalytic Activity Maps for Alloy Nanoparticles.

Liang Cao1, Tim Mueller2

  • 1Institute of Catalysis, Department of Chemistry, Zhejiang University, Hangzhou, Zhejiang 310058, P. R. China.

Journal of the American Chemical Society
|March 27, 2023
PubMed
Summary
This summary is machine-generated.

Designing alloy nanoparticle catalysts is now more rational. We developed a method to map catalytic activity, optimizing platinum-nickel catalysts for the oxygen reduction reaction (ORR) by tuning size and composition.

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Area of Science:

  • Materials Science
  • Catalysis
  • Computational Chemistry

Background:

  • Rational design of alloy nanoparticle catalysts requires predictive models for activity.
  • Understanding the influence of size, composition, and atomic structure on catalytic performance is crucial.

Purpose of the Study:

  • To develop a computational approach for generating catalytic activity maps of alloy nanoparticles.
  • To predict optimal alloy nanoparticle structures and compositions for specific catalytic reactions.

Main Methods:

  • Utilized a quaternary cluster expansion to predict adsorbate binding energies on alloy nanoparticles.
  • Incorporated cluster expansion into kinetic Monte Carlo simulations to predict nanoparticle structures and turnover frequencies.
  • Applied the approach to Pt-Ni octahedral nanoparticle catalysts for the oxygen reduction reaction (ORR).

Main Results:

  • Developed a method to map catalytic activity based on nanoparticle size and composition.
  • Predicted optimal specific activity for ORR at Pt-Ni compositions of Pt0.85Ni0.15 and edge lengths > 5.5 nm.
  • Predicted optimal mass activity for ORR at Pt-Ni compositions of Pt0.8Ni0.2 and edge lengths of 3.3-3.8 nm.

Conclusions:

  • The developed approach enables rational design of alloy nanoparticle catalysts.
  • Catalytic activity maps provide valuable insights for optimizing nanoparticle catalysts for reactions like ORR.