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Updated: Aug 9, 2025
10:57
Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
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Mo Cluster Support on C2 N as a Highly-efficient Catalyst for Electrocatalytic Nitrogen Reduction Reaction
Yuke Chen1, Ming Zhao1, Zhili Wang1
1Key Laboratory of Automobile Materials, Ministry of Education, and School of Materials Science and Engineering, Jilin University, Changchun, 130022, China.
Summary
Electrocatalytic nitrogen reduction (NRR) using Mo12 clusters on C2N offers a sustainable alternative to Haber-Bosch. This method shows excellent performance with a low limiting potential, reducing the reaction barrier.
Area of Science:
- Materials Science
- Catalysis
- Computational Chemistry
Background:
- Electrocatalytic nitrogen reduction (NRR) is a promising sustainable alternative to the Haber-Bosch process for ammonia synthesis.
- Current challenges in NRR include high energy requirements and low efficiency.
Purpose of the Study:
- To investigate the electrocatalytic nitrogen reduction reaction (NRR) performance of Mo12 clusters on a C2N monolayer.
- To explore the potential of Mo12-C2N as an efficient catalyst for sustainable ammonia production.
Main Methods:
- Density Functional Theory (DFT) calculations were employed to study the NRR mechanism.
- The electronic structure and reaction pathways of Mo12 clusters on C2N were analyzed.
Main Results:
- The Mo12-C2N system exhibits diverse active sites that facilitate favorable reaction pathways for intermediates.
- A reduced reaction barrier for NRR was observed due to the unique active sites.
- Excellent NRR performance was achieved with a limiting potential of -0.26 V vs. reversible hydrogen electrode (RHE).
Conclusions:
- Mo12 clusters supported on C2N monolayers demonstrate significant potential for efficient electrocatalytic nitrogen reduction.
- The findings suggest a viable pathway towards sustainable ammonia synthesis under mild conditions.
Keywords:
C2N monolayerMo12 clustersdensity functional calculationselectrocatalysisnitrogen reduction reactionMore Related Videos
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