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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...

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Updated: Jan 11, 2026

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

Unveiling Hydrogen Coverage on Ru Nanoparticles Through Modeling and Experiments.

Wenye Xuan^1,2, Yu-Hao Liu¹, Cheng-Ye Zou³

¹Department of Engineering and System Science, National Tsing Hua University, Hsinchu, 300044, Taiwan.

Advanced Materials (Deerfield Beach, Fla.)

|November 17, 2025

Summary

This summary is machine-generated.

Metal-hydrogen interactions are key in catalysis. New research shows ruthenium nanoparticles adsorb more hydrogen than previously assumed, challenging standard methods for estimating catalyst size and dispersion.

Keywords:

DFT Calculations DPMD Ru nanoparticles hydrogen adsorption surface characterization

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Area of Science:

Materials Science
Catalysis
Surface Chemistry

Background:

Metal-hydrogen interactions are critical for catalytic processes.
Hydrogen uptake measurements are standard for estimating supported metal catalyst dispersion.
Conventional models assume a uniform 1 monolayer (ML) hydrogen saturation coverage on metal surfaces.

Purpose of the Study:

To quantitatively examine hydrogen uptake by ruthenium (Ru) nanoparticles at the atomic scale.
To investigate the influence of Ru nanoparticle size on hydrogen adsorption.
To challenge and refine existing methods for assessing catalyst dispersion and particle size.

Main Methods:

Density Functional Theory (DFT) simulations.
Ab initio phase diagrams and molecular dynamics (AIMD).
Deep Potential Molecular Dynamics (DPMD) simulations.
Experimental validation using high-resolution electron microscopy and chemisorption.

Main Results:

Small Ru nanoparticles (≈1 nm) adsorb over two ML of hydrogen (H/Ru > 2).
Larger Ru particles (≈4.8 nm) still adsorb >1.2 ML of hydrogen (H/Ru > 1).
Observed size-dependent hydrogen uptake contradicts the uniform 1 ML saturation assumption.

Conclusions:

Conventional chemisorption analyses may overestimate Ru dispersion or underestimate particle size.
Accurate Ru-H interaction data, accounting for size-dependent uptake, is now available.
Findings have implications for both academic research and industrial catalysis applications.