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Rational engineering yolk-shell In 2 S 3 @void@carbon hybrid as polysulfide-absorbable sulfur host for high-performance lithium-sulfur batteries.

Yingyi DingZihan ShenTianli HanJing XuHuigang ZhangChaoquan HuJinyun Liu
Published in: Dalton transactions (Cambridge, England : 2003) (2023)
The slow redox kinetics and shuttling behavior of the intermediate lithium polysulfides constrain the further development of lithium-sulfur (Li-S) electrochemistry. A yolk-shell In 2 S 3 @void@carbon hybrid engineered to host the sulfur for Li-S batteries is prepared by using a multi-layered assembly method. The In 2 S 3 /electrolyte interface acted as powerful adsorption and activation sites for soluble polysulfides, which is demonstrated using density functional theory (DFT) calculations. Moreover, the carbon shell provides redundancy for volume-changes during the cycles. The results indicate that yolk-shell In 2 S 3 @S@C hybrid cathode shows good reversibility and rate capability, which preserves 563.6 mA h g -1 after 500 cycles at 0.5 C, indicating the potential for developing high-performance battery systems.
Keyphrases
  • solid state
  • density functional theory
  • ion batteries
  • molecular dynamics
  • reduced graphene oxide
  • molecular docking
  • gold nanoparticles
  • molecular dynamics simulations
  • risk assessment
  • climate change