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Ohmic Contact Fabrication Using a Focused-ion Beam Technique and Electrical Characterization for Layer Semiconductor Nanostructures
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Non-Noble Metal Incorporated Transition Metal Dichalcogenide Monolayers for Electrochemical CO2 Reduction: A

Mingjie Pu1, Wanlin Guo1, Yufeng Guo1

  • 1State Key Laboratory of Mechanics and Control for Aerospace Structures, MOE Key Laboratory for Intelligent Nano Materials and Devices, College of Aerospace Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China.

ACS Applied Materials & Interfaces
|December 5, 2023
PubMed
Summary

Non-noble Sc and Ti single atoms on defected transition metal dichalcogenide (TMD) monolayers show superior performance for the CO2 reduction reaction (CO2RR). Strain engineering further reduces overpotentials, offering a cost-effective catalytic approach.

Keywords:
CO2 reduction reactionmetal single atom catalystsstrain engineeringtransition metal dichalcogenidesvacancy

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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Area of Science:

  • Materials Science
  • Catalysis
  • Electrochemistry

Background:

  • The electrochemical carbon dioxide reduction reaction (CO2RR) is crucial for sustainable energy solutions.
  • Developing cost-effective catalysts is essential for widespread CO2RR applications.
  • Non-noble metal catalysts offer a promising alternative to expensive noble metals.

Purpose of the Study:

  • To investigate the catalytic performance of non-noble single atoms on transition metal dichalcogenide (TMD) monolayers for CO2RR.
  • To explore the effects of defect engineering and strain on catalytic activity.
  • To identify efficient and selective single-atom catalysts for CO2RR.

Main Methods:

  • Extensive first-principles calculations were employed to screen transition metal catalysts.
  • Vacancy-defected TMD monolayers were utilized as catalyst supports.
  • Biaxial tensile strain was applied to optimize catalytic performance.

Main Results:

  • Sc and Ti single atoms on defected TMDs demonstrated superior CO2RR performance compared to noble metal single atoms.
  • Applied tensile strain reduced the overpotentials for Sc and Ti catalysts to below 0.09 V.
  • The catalytic activity was significantly enhanced by vacancy defects and strain-induced charge transfer.

Conclusions:

  • Non-noble single-atom catalysts, specifically Sc and Ti on defected TMDs, are highly effective for CO2RR.
  • Strain engineering is a viable strategy to further enhance the activity of these catalysts.
  • This work provides a pathway for designing advanced single-atom catalysts for electrochemical CO2 reduction.