Superior Anchoring of Sodium Polysulfides to the Polar C₂N 2D Material: A Potential Electrode Enhancer in Sodium-Sulfur Batteries.

ABSTRACT: Despite the high theoretical specific energy in rechargeable sodium-sulfur batteries, the shuttle effect severely hampers its capacity and reversibility, which could be overcome by introducing an anchoring material. We, herein, use first-principles calculations to study the low-cost, easily synthesized, environmentally friendly, and stable two-dimensional polar nitrogenated holey graphene (C₂N) and nonpolar polyaniline (C₃N) to investigate their performance as anchoring materials and the mechanism behind the binding to identify the best candidate to improve the performance of sodium-sulfur batteries. We gain insight into the interaction, including the lowest-energy configurations, binding energies, binding nature, charge transfer, and electronic properties. Sodium pri

SUBMITTER: Sajjad M 

PROVIDER: S-EPMC7660946 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature