To investigate the potential of polycyclic aromatic hydrocarbons as organic anode materials for sodium- and potassium-ion batteries using density functional theory.
Utilized density functional theory (DFT) to analyze sodium and potassium complexes of polycyclic aromatic hydrocarbons.
Evaluated the performance of these complexes as anode materials for battery applications.
Compared theoretical results against existing materials for battery efficiency.
Polycyclic aromatic hydrocarbons showed promising characteristics for high-performance organic anodes.
Sodium and potassium complexes exhibited favorable energy profiles and stability metrics.
Performance metrics indicate potential advantages over traditional battery materials.
Abstract
The sodium and potassium complexes of polycyclic aromatic hydrocarbons offer a promising pathway for designing high-performance organic anode materials for alkali metal-ion batteries.