Ab-initio analysis of zigzag stanene nanoribbons for lithium-ion batteries

Abstract

This work investigates the adsorption behavior of lithium (Li) atoms on zigzag stanene nanoribbon (ZSnNR). This work analyzes the adsorption, open circuit voltage and capacity of Li on ZSnNR. When Li atoms are adsorbed on ZSnNR, it shifts the Fermi level towards the conduction band as compared to the ZSnNR. It indicates a strong interaction between Li and Sn. Our calculations show that the maximum storage capacity of Li on ZSnNR is nearly 200 mAhg[Formula: see text] and has a low open-circuit voltage of 2.28 V. The reported findings suggest that ZSnNR can be utilized as anode material for Li ion batteries and it establishes the theoretical foundation for future study on ZSnNR and other Li storage architectures.