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April 1, 2026Physical Chemistry Chemical Physics0 citations

Tailoring Ferroelectric Polarization in In2SenS3-n Monolayers via Se/S Ratio Modulation to Boost Polysulfide Electrocatalysis

HDHaoyun DouXXXuanpan XuRARawaid Ali

Key Points

  • The research aims to explore how adjusting the Se/S ratio in In2SenS3-n monolayers can influence ferroelectric polarization and improve sulfur redox kinetics.
  • Utilized first-principles calculations to analyze atomic-scale configurations.
  • Examined the relationship between Se/S ratio and ferroelectric properties.
  • Evaluated electrocatalytic performance under different Se/S modulations.
  • Identified optimal Se/S ratios that significantly enhance ferroelectric polarization.
  • Showed reduced polysulfide shuttle effect in tailored monolayers.
  • Improved sulfur redox kinetics linked to the optimized Se/S configuration.

Abstract

The commercialization of lithium-sulfur (Li-S) batteries is hindered by the polysulfide shuttle effect and slow sulfur redox kinetics. This study employs first-principles calculations to investigate the atomic-scale tuning of the...

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Cite This Study

Dou et al. (2026) studied this question.

synapsesocial.com/papers/69cd7a1b5652765b073a6e96https://doi.org/10.1039/d6cp00217j
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