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Updated: Jul 4, 2025
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
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Single-atom catalysts supported on two-dimensional tetragonal transition metal chalcogenides for hydrogen and oxygen
1State Key Laboratory of Urban Water Resource and Environment, School of Science, Harbin Institute of Technology Shenzhen, Shenzhen 518055, China.
Iscience
|January 31, 2024
Summary
Single-atom catalysts on 2D transition metal chalcogenides show promise for clean energy. Several novel catalysts exhibit superior oxygen evolution and hydrogen evolution reaction performance compared to benchmarks.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Single-atom catalysts (SACs) maximize metal atom efficiency and catalytic activity.
- Transition metal atoms on 2D materials enhance electrocatalytic performance.
- Limited research exists on SACs on 2D tetragonal transition metal chalcogenides (TMX) for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER).
Purpose of the Study:
- To theoretically investigate single-atom catalysts supported on 2D TMX monolayers (TMA@TMBX) for OER and HER.
- To identify novel SACs with enhanced electrocatalytic activity for clean energy applications.
Main Methods:
- Density Functional Theory (DFT) calculations were employed for theoretical analysis.
- Evaluation of OER and HER performance of various TMA@TMBX electrocatalysts.
Main Results:
- Seven TMA@TMBX electrocatalysts outperformed IrO2 in OER.
- Four TMA@TMBX electrocatalysts showed lower OER overpotential than RuO2.
- Four TMA@TMBX electrocatalysts demonstrated superior HER performance compared to Pt (111).
- Co@NiSe, Rh@NiTe, and Co@NiS were identified as highly bifunctional HER/OER catalysts.
Conclusions:
- The study provides valuable insights into enhancing HER and OER activities of SACs on 2D materials.
- TMA@TMBX electrocatalysts represent a promising class of materials for renewable energy technologies.
- The findings could significantly impact the development of efficient electrocatalysts for clean and renewable energy.
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