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Protocol of Electrochemical Test and Characterization of Aprotic Li-O2 Battery
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Subsurface Electron Trap Enabled Long-Cycling Oxalate-Based Li-CO2 Battery.

Yuchun Liu1, Tianqi Liu1, Xinyun Wang1

  • 1Hefei National Laboratory for Physical Sciences at the Microscale, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui, 230026, P. R. China.

Advanced Materials (Deerfield Beach, Fla.)
|July 14, 2025
PubMed
Summary

Researchers developed a novel MoB catalyst for lithium-CO₂ batteries, enhancing efficiency and stability by stabilizing key intermediates. This breakthrough improves battery performance across various temperatures, enabling wider applications.

Keywords:
Li‐CO2 batteryelectron trapenergy efficiencylithium oxalatesubsurface atomic layer

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Lithium-CO₂ (Li-CO₂) batteries offer high theoretical energy density but suffer from low efficiency due to sluggish decomposition of Li₂CO₃.
  • Alternative redox pathways involving Li₂C₂O₄ are promising but limited by the metastability of Li₂C₂O₄, which easily converts back to Li₂CO₃.

Purpose of the Study:

  • To engineer Mo-based catalysts with subsurface electronic confinement to stabilize Li₂C₂O₄ in Li-CO₂ batteries.
  • To improve the cycling stability and energy efficiency of Li-CO₂ batteries, particularly at elevated temperatures.

Main Methods:

  • Engineered subsurface electronic confinement in Mo-based catalysts using boron (B) as electron traps.
  • Tailored interfacial electronic landscapes by manipulating Mo d-band levels and Mo-O orbital hybridization with oxalate.
  • Investigated the stabilization mechanism of Li₂C₂O₄ and evaluated battery performance under various conditions.

Main Results:

  • The MoB catalyst design successfully stabilized Li₂C₂O₄ against decomposition by strengthening the Mo-O interaction.
  • Achieved exceptional cycling stability (>1400 h at 70 µA cm⁻²) and high energy efficiency (>85%) for the MoB-based Li-CO₂ battery.
  • Demonstrated sustained high energy efficiency (>90% for ~150 h) even at 90 °C, showcasing wide-temperature viability.

Conclusions:

  • Pioneered a material design framework for stabilizing metastable intermediates in Li-CO₂ batteries through subsurface charge redistribution.
  • MoB catalysts enable highly reversible and stable redox chemistry, significantly advancing the practical applicability of Li-CO₂ batteries.
  • The findings support the potential use of these advanced batteries in extreme environments, such as deep-earth exploration.