Sodium into γ-Graphyne Multilayers: An Intercalation Compound for Anodes in Metal-Ion Batteries

The bulk synthesis of γ-graphyne has been recently achieved and evidenced a multilayered structure, which suggests its potential exploitation as a substitute of graphite-based anode materials for metals heavier than lithium (Li). In fact, each of its regular pores of sub-nanometric size features an optimal environment for hosting a single sodium (Na) ion, as reported here by means of accurate electronic structure calculations. We show that the graphyne