Goldene monolayer as a highly effective catalyst for polysulfide anchoring and conversion

Key Points

• This research aims to explore the interaction of polysulfide clusters with a gold allotrope called Goldene, focusing on its catalytic properties.
• Utilized first-principles density functional theory for analysis
• Examined various lithium sulfide and polysulfide clusters including Li$_2$S, Li$_2$S$_2$, Li$_2$S$_4$, Li$_2$S$_6$, Li$_2$S$_8$, and S$_8
• Assessed binding energies and stability of the lithium polysulfides on Goldene
• Goldene demonstrates strong binding capabilities with polysulfides
• The binding energies indicate effective anchoring of polysulfides on the surface
• Results suggest Goldene can enhance the conversion of polysulfides in energy applications