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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...

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...

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.

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Updated: Jun 17, 2025

Hydrogen Production and Utilization in a Membrane Reactor

Hydrogen Production and Utilization in a Membrane Reactor

Published on: March 10, 2023

Restructuring and Hydrogen Evolution on Sub-Nanosized Pd_xB_y Clusters.

De Zhang¹, Ruijing Wang¹, Sijia Luo¹

¹Shanghai Key Laboratory of Chemical Assessment and Sustainability, School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China.

Molecules (Basel, Switzerland)

|August 10, 2024

Summary

Boron-doped palladium (Pd-B) clusters show high efficiency for the hydrogen evolution reaction (HER). DFT calculations reveal that Pd-B nanoparticles undergo structural reconstruction, enhancing HER activity compared to pure platinum or palladium.

Keywords:

DFT calculations cluster hydrogen evolution reaction palladium boride

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Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

Area of Science:

Materials Science
Catalysis
Computational Chemistry

Background:

Platinum-group elements, particularly palladium (Pd), are explored as alternatives to platinum (Pt) for the hydrogen evolution reaction (HER).
Understanding the structural dynamics and catalytic properties of nanoscale materials is crucial for developing efficient electrocatalysts.

Purpose of the Study:

To investigate the stable structures of palladium-boron (Pd-B) clusters (PdxB, x = 6, 19, 44) using density functional theory (DFT).
To reveal the in situ structural reconstruction of these clusters under acidic conditions.
To evaluate the HER activity of Pd-B clusters and identify potential new electrocatalysts.

Main Methods:

Density functional theory (DFT) computations were employed to model and analyze Pd-B cluster structures.
In situ structural reconstruction under acidic conditions was simulated.
Hydrogen evolution reaction (HER) activity was theoretically evaluated by calculating reaction barriers.

Main Results:

The presence of boron (B) in Pd clusters prevents underpotential hydrogen adsorption and activates surface hydrogen atoms for HER.
Theoretical calculations indicate a low reaction barrier of 0.36 eV for HER on ~1 nm sized Pd44B4 clusters.
The HER activity of Pd-B clusters was found to be superior to similarly sized pure Pt and Pd2B nanoparticles.

Conclusions:

Sub-nanosized Pd-B clusters exhibit ultra-high HER activity, positioning them as promising novel electrocatalysts.
The study offers new insights into the structural reconstruction of small nanoparticles, guiding future nanocatalyst design.
Pd-B clusters represent a potential advancement in efficient electrocatalysis for HER.