Related Experiment Video
Updated: Nov 12, 2025
10:19
Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation
Published on: July 18, 2017
12.3K
PdRuIr ternary alloy as an effective NO reduction catalyst: insights from first-principles calculation
Susan Meñez Aspera1, Ryan Lacdao Arevalo, Bhume Chantaramolee
1National Institute of Technology, Akashi College, 679-3 Nishioka, Uozumi, Akashi, Hyogo 674-8501, Japan. nakanishi@akashi.ac.jp.
Physical Chemistry Chemical Physics : PCCP
|March 18, 2021
Summary
Nitric oxide (NO) dissociation on PdRuIr alloys is key for automotive catalysts. This study reveals charge transfer, not just adsorption strength, dictates NO dissociation efficiency on these ternary alloys.
Area of Science:
- Materials Science
- Catalysis
- Computational Chemistry
Background:
- Nitric oxide (NO) dissociation is crucial for automotive exhaust purification via three-way catalysts.
- Understanding NO interaction with catalyst surfaces is vital for developing efficient emission control systems.
Purpose of the Study:
- To investigate the interaction and dissociation of NO on a PdRuIr ternary alloy using first-principles calculations.
- To elucidate the electronic properties governing NO dissociation activity and stability on the alloy.
Main Methods:
- First-principles calculations based on density functional theory (DFT).
- Analysis of electronic properties and adsorption/dissociation mechanisms of NO on PdRuIr surfaces.
Main Results:
- The PdRuIr ternary alloy exhibits effective NO dissociation activity and stability against volatile ruthenium oxide formation.
- NO adsorption strength does not solely predict dissociation activity; charge transfer to NO and adsorption homogeneity are critical.
- Weakened oxygen adsorption on the alloy, especially near Ru sites, is attributed to charge redistribution.
Conclusions:
- The PdRuIr alloy is a promising catalyst for NO reduction, with dissociation mediated by molecular diffusion to specific active sites.
- Charge transfer to NO's anti-bonding state and adsorption homogeneity are key descriptors for NO dissociation on metal alloys, rather than simple adsorption strength.
- Alloying effectively modifies surface electronic properties, leading to enhanced catalytic performance and stability.
![[DPEPhosbcpCu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F59739.jpg&w=3840&q=50)
Related Concept Videos
02:24Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation
8.4K
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.
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.
8.4K
02:17Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
3.6K
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...
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...
3.6K
02:13Reduction of Alkenes: Catalytic Hydrogenation
13.2K
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...
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...
13.2K
01:22Alkenes via Reductive Coupling of Aldehydes or Ketones: McMurry Reaction
2.1K
The radical dimerization of ketones or aldehydes gives vicinal diols through a pinacol coupling reaction. However, the behavior of titanium metals used for the reaction as a source of electrons is unusual. When the reaction is carried out in the presence of titanium, diols can be isolated at low temperatures. Else titanium further reacts with diols, forming alkenes through the McMurry reaction.
2.1K
00:55Nitriles to Amines: LiAlH4 Reduction
4.2K
Nitriles are reduced to amines in the presence of strong reducing agents like lithium aluminum hydride through a typical nucleophilic acyl substitution. The reaction requires two equivalents of the reducing agent. The reducing agent acts as a source of hydride ions.
As shown below, the mechanism involves three steps. Firstly, the hydride ion acting as a nucleophile attacks the nitrile carbon to form an anion. In the second step, a second equivalent of the hydride ion attacks the anion to...
As shown below, the mechanism involves three steps. Firstly, the hydride ion acting as a nucleophile attacks the nitrile carbon to form an anion. In the second step, a second equivalent of the hydride ion attacks the anion to...
4.2K