The thermal instability of hydrogen-substituted graphdiyne and its role in lithium–sulfur batteries

Abstract

This study reveals the role of thermal instability in hydrogen-substituted graphdiyne (HsGDY) and its impact on lithium–sulfur (Li–S) battery performance. HsGDY undergoes significant chemical and physical transformations when subjected to thermal heating, both in the presence and absence of sulfur. Our findings suggest that the structural transformation of HsGDY into a graphene-like structure is primarily responsible for enhancing sulfur trapping and reducing the polysulfide shuttle effect, rather than the previously hypothesized alkyne–sulfur chemical interactions.