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Related Concept Videos

Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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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.
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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Catalysis02:50

Catalysis

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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: Asymmetric Catalytic Hydrogenation02:17

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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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Limiting Reactant02:27

Limiting Reactant

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The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts. However, in reality, the reactants are not always present in the stoichiometric amounts indicated by the balanced equation.
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Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration02:34

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The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
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Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation02:24

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

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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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Updated: Sep 27, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Substrate effect on hydrogen evolution reaction in two-dimensional Mo2C monolayers.

Sujin Lee1, Byungjoon Min2,3, Junhyeok Bang4,5

  • 1Department of Energy and Materials Engineering, Dongguk University-Seoul, Seoul, 04620, Korea.

Scientific Reports
|April 13, 2022
PubMed
Summary
This summary is machine-generated.

Substrates significantly influence the catalytic activity of two-dimensional (2D) molybdenum carbide (Mo2C) for the hydrogen evolution reaction (HER). Silver and copper substrates enhance HER activity, especially at low hydrogen coverage, by altering charge distribution.

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Catalysis

Background:

  • Atomically thin two-dimensional (2D) materials exhibit tunable properties influenced by their supporting substrates.
  • The hydrogen evolution reaction (HER) is a critical process in electrocatalysis for energy applications.
  • Understanding substrate effects is crucial for optimizing 2D material performance.

Purpose of the Study:

  • To investigate the impact of various substrates on the electrocatalytic hydrogen evolution reaction (HER) activity of 2D molybdenum carbide (Mo2C) monolayers.
  • To elucidate the mechanisms behind substrate-mediated modifications of HER activity.

Main Methods:

  • First principles calculations were employed to model the interactions between 2D Mo2C monolayers and different substrates.
  • The study analyzed the influence of hydrogen coverage and substrate type on HER activity.

Main Results:

  • The intrinsic HER activity of isolated Mo2C monolayers varies significantly with hydrogen coverage.
  • Ag and Cu substrates demonstrably enhance HER activity, particularly at low hydrogen coverages.
  • Au and graphene substrates showed negligible effects on the HER activity of Mo2C monolayers.
  • Charge redistribution within the Mo2C layer, induced by Ag and Cu substrates, leads to improved HER performance across all hydrogen coverages.

Conclusions:

  • Substrates offer a tunable parameter for optimizing the electrocatalytic performance of 2D materials.
  • Ag and Cu substrates are promising for enhancing HER in 2D Mo2C systems.
  • This work highlights the importance of substrate engineering in designing efficient 2D electrocatalysts.