Doping at sp²-Site in Graphene+ Monolayers as High-Capacity Nodal-Line Semimetal Anodes for Na-Ion Batteries: A DFT Study.

ABSTRACT: Topological semimetals, especially topological semimetallic carbon-based materials, exhibit high electrical conductivity that is resistant to disruptions from defects or impurities, making them ideal alternatives as anode materials for sodium-ion batteries (SIBs). Recently, a novel two-dimensional carbon allotrope known as graphene+ was theoretically proposed [Yu et al., Cell Rep. Phys Sci., 3, 100790 (2022)], and because of its fascinating features, it shows potential for a variety of applications. In this study, we proposed two new two-dimensional carbon-based materials named M₂C₇ (M = B and Si) monolayers, which can be obtained by doping boron and silicon atoms into graphene+ at sp²-site, and thoroughly investigated their suit

SUBMITTER: Surila 

PROVIDER: S-EPMC11904845 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature