Bilayer and Trilayer C₃N/Blue-Phosphorene Heterostructures as Potential Anode Materials for Potassium-Ion Batteries.

ABSTRACT: Two-dimensional (2D) van der Waals heterostructures outperform conventional anode materials for postlithium-ion batteries in terms of mechanical, thermal, and electrochemical properties. This study systemically investigates the performance of bilayer and trilayer C₃N/blue phosphorene (C₃N/BlueP) heterostructures as anode materials for potassium-ion batteries (KIBs) using first-principles density functional theory calculations. This study reveals that the adsorption and diffusion of K ions on bilayer and trilayer C₃N/BlueP heterostructures are markedly superior to those of their monolayer counterparts. A bilayer heterostructure (C₃N/BlueP) effectively reduces the bandgap of the BlueP monolayer (1.98 eV) to 0.02 eV, whereas trilayer heterostructure

SUBMITTER: Khodadadi A 

PROVIDER: S-EPMC10733956 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature