Electrochemical Performance of Gold Monolayers for Lithium-Ion Batteries: A First Principles Study
This first-principles study proposes two newly synthesized gold monolayer phases, goldene-I and goldene-II, as promising anode materials for lithium-ion batteries, demonstrating their metallic nature, structural stability, and high volumetric capacities with goldene-II reaching 0.783 Ah/cm³ and goldene-I exhibiting ultra-low diffusion barriers for rapid ion transport.