Exploring the enhanced anode performance of BN/TiS2 heterostructures for Li/Na/K-ion batteries via first-principles calculations

DFT results show BN/TiS 2 heterostructures are metallic and excellent anodes for Li/Na/K-ion batteries, with multiple stable binding sites. Low diffusion barriers, moderate capacities, and favorable voltages for Li/Na/K-ion indicate promising multi-ion battery performance.