Ab-Initio Studies on Fluorine–Sulfur Coterminated MXene–Reduced Graphene Oxide Composites for Fast Polysulfide Conversion in Flexible Sodium–Sulfur Batteries

Flexible, high-performance cathodes are essential for realizing practical room-temperature sodium–sulfur (Na–S) batteries, yet sluggish polysulfide conversion, poor retention, and mechanical limitations remain major barriers. Here, we introduce a sulfur/fluorine coterminated vanadium carbide MXene i...

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Bibliographic Details
Main Author:	Ram Sewak (20285619) (author)
Other Authors:	Anirban Mondal (1542154) (author)
Published:	2025
Subjects:	Biophysics Evolutionary Biology Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified work establishes surface wearable energy storage rgo ), designed reduced graphene oxide realizing practical room principles calculations reveal preserving structural integrity fast polysulfide conversion enhance polysulfide anchoring efficient charge transport decomposition barrier reported 8 – 3 charge density difference sulfur reduction reaction complete sulfur utilization 67 </ sub 33 </ sub 2 </ sub based na – n </ na – partial density sub >< ></ sub termination engineering terminated counterparts poor retention metallic conductivity material achieves lowest na initio studies flexibility simultaneously enabling faster catalytic activity 90 ev 287 ev
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Ab-Initio Studies on Fluorine–Sulfur Coterminated MXene–Reduced Graphene Oxide Composites for Fast Polysulfide Conversion in Flexible Sodium–Sulfur Batteries

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