Efficient Electron Injection into Graphullerene Enables Reversible NaC₂ Sodium Storage

Sodium-ion batteries are emerging as promising alternatives to conventional lithium-based technology, offering solutions to challenges in large-scale grid storage. However, the capacity of conventional graphite-based anodes for storing Na-ions is inherently limited by suboptimal thermodynamic interactions and irreversible structural changes that occur in the anode during charge-discharge cycles. Herein, we present a computational design that explores the potential of graphullerene, a two-dimensional framework with interconnected fullerene moieties, for the reversible storage of Na-ions. A unique aspect of this design is the electron injection capacity into the graphullerene anode, reaching 15 electrons per fullerene moiety, which is the highest limit to date. This advancement enables large-scale Na-ion storage up to the stoichiometry of NaC