First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS₂/Graphene Interfaces.

ABSTRACT: Na-ion batteries (NIBs) are emerging as promising energy storage devices for large-scale applications. Great research efforts are devoted to design new effective NIB electrode materials, especially for the anode side. A hybrid 2D heterojunction with graphene and MoS₂ has been recently proposed for this purpose: while MoS₂ has shown good reversible capacity as a NIB anode, graphene is expected to improve conductivity and resistance to mechanical stress upon cycling. The most relevant processes for the anode are the intercalation and diffusion of the large Na ion, whose complex mechanisms are determined by the structural and electronic features of the MoS₂/graphene interface. Understanding these processes and mechanisms is crucial for developing new nanoscale

SUBMITTER: Massaro A 

PROVIDER: S-EPMC7876776 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature