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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.

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Crystal-Phase-Engineered PdCu Electrocatalyst for Enhanced Ammonia Synthesis.

Wu Tong¹, Bolong Huang², Pengtang Wang¹

¹College of Chemistry, Chemical Engineering and Materials Science, Soochow University, No.199, Ren'ai Road, Suzhou, 215123, Jiangsu, China.

Angewandte Chemie (International Ed. in English)

|November 26, 2019

Summary

Body-centered cubic (BCC) palladium-copper (PdCu) nanoparticles show excellent performance for ammonia synthesis. This crystal phase engineering strategy offers a new path for developing efficient and stable electrocatalysts for nitrogen electroreduction reactions.

Keywords:

ammonia synthesis crystal phase engineering electroreduction nitrogen fixation ordered structures

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Area of Science:

Materials Science
Electrochemistry
Catalysis

Background:

Crystal phase engineering is crucial for optimizing electrocatalyst performance.
The influence of crystal structure on nitrogen electroreduction catalysis remains underexplored.

Purpose of the Study:

To investigate the effect of crystal phase on PdCu nanoparticles for ammonia synthesis.
To develop active, selective, and stable electrocatalysts for the nitrogen reduction reaction (NRR).

Main Methods:

Synthesis of body-centered cubic (BCC) and face-centered cubic (FCC) PdCu nanoparticles.
Electrochemical evaluation of ammonia synthesis performance.
Density functional theory (DFT) calculations to understand catalytic mechanisms.

Main Results:

BCC PdCu nanoparticles demonstrated high activity (35.7 μg h⁻¹ mg⁻¹ cat NH₃ yield) and selectivity (11.5% Faradaic efficiency) for ammonia synthesis at -0.1 V vs RHE.
BCC PdCu outperformed FCC PdCu and other reported NRR electrocatalysts.
The catalyst exhibited durable stability over five electrolysis cycles.
DFT calculations revealed that BCC PdCu's electronic structure, influenced by Pd-Cu orbital interactions, enhances NRR catalysis.

Conclusions:

Structurally ordered BCC PdCu nanoparticles are effective electrocatalysts for ammonia synthesis.
Crystal phase engineering of PdCu offers a promising strategy for designing advanced NRR electrocatalysts.
The findings provide new insights into the structure-performance relationship for nitrogen electroreduction.