Adsorption of single alkali-metal atoms (Li, Na, K) over the edge-passivated zigzag blue phosphorene nanoribbons

In the wake of blue phosphorene’s theoretical prediction and experimental synthesis, it has emerged as an excellent candidate for anode materials in alkali-metal-ion batteries due to its outstanding electrochemical performance. In the work, we have addressed the impact of edge passivation by both hydrogen (H) and oxygen (O) atoms on single adsorption of different alkali-metal atoms (Li, Na, K) over zigzag blue phosphorene nanoribbons (ZBPNRs)...