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Catalysis

Catalysis

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.

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

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.

Catalytically Perfect Enzymes

Catalytically Perfect Enzymes

The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.

Most enzymes...

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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...

Reduction of Alkenes: Catalytic Hydrogenation

Reduction of Alkenes: Catalytic Hydrogenation

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.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...

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Updated: Jun 7, 2025

Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes

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High-Entropy Alloys in Catalysis: Progress, Challenges, and Prospects.

Liang Sun¹, Kaihua Wen¹, Guanjie Li¹

¹School of Chemical Engineering, The University of Adelaide, Adelaide 5000, Australia.

ACS Materials Au

|November 18, 2024

Summary

High-entropy alloys (HEAs) show great promise in catalysis due to their unique structures. Computational methods like DFT and ML are accelerating the discovery and optimization of HEAs for enhanced catalytic performance.

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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Published on: April 10, 2018

Area of Science:

Materials Science
Catalysis
Computational Chemistry

Background:

High-entropy alloys (HEAs) are advanced materials with unique compositions and structures.
HEAs offer significant advantages in catalytic applications.

Purpose of the Study:

To review recent progress in HEAs for catalysis.
To highlight the role of computational methods in HEA catalyst design.
To discuss properties, challenges, and future prospects of HEAs in catalysis.

Main Methods:

Density Functional Theory (DFT) simulations.
Machine Learning (ML) models.
Atomistic simulations for property prediction.

Main Results:

Computational techniques enhance understanding and design of HEAs for catalysis.
HEAs demonstrate potential for improved catalytic activity and selectivity.
HEAs can function as stable, multifunctional catalysts.

Conclusions:

HEAs are promising for catalysis, with computational tools driving innovation.
Further research is needed to fine-tune HEA properties for optimal catalytic performance.