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Updated: Mar 20, 2026
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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
Published on: December 6, 2021
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Structure-Sensitivity Switch on Mo2CTx MXene: Steering CO2 Hydrogenation via Surface Termination and Copper
Juan Li1,2, Yang Chen1,2, Lulu Chen1,2
1State Key Laboratory of Chemistry for NBC Hazards Protection, College of Chemistry, Fuzhou University, Fuzhou, China.
Angewandte Chemie (International Ed. in English)
|March 19, 2026
Summary
Precise control of CO2 hydrogenation is challenging. This study reveals how surface oxygen and copper coordination on Mo2COx catalysts dictate selectivity, offering design principles for efficient CO2 conversion.
Area of Science:
- Catalysis
- Materials Science
- Surface Chemistry
Background:
- Controlling product selectivity in CO2 hydrogenation is crucial but complex.
- Understanding the link between catalyst structure and selectivity is key.
Purpose of the Study:
- To decouple the roles of surface oxygen and copper coordination in Mo2COx catalysts for CO2 hydrogenation.
- To establish design principles for selective CO2 conversion.
Main Methods:
- Density functional theory (DFT) calculations.
- Microkinetic modeling.
- In situ spectroscopy and catalytic tests.
Main Results:
- Identified three structure-sensitive regimes influencing CO2 hydrogenation pathways.
- Higher oxygen coverage favors CO selectivity; Cu-adsorption enhances CH4 production.
- Cu-doping promotes CH3OH formation; Cu oxidation state quantifies CH3OH/CH4 selectivity.
Conclusions:
- Mechanistic insights bridge catalyst structure sensitivity with macroscopic performance.
- Established general design principles for selective CO2 conversion on MXene-based catalysts.
- Provides a foundation for rational design of advanced CO2 hydrogenation systems.
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