Electromagnetic and optical properties of Na, Mg, and Al-adsorbed stanene nanoribbons: potential applications

Density functional theory (DFT) combined with the Vienna<i>ab initio</i>simulation package (VASP) was used to investigate the electronic, magnetic, and optical properties of one-dimensional stanene nanoribbons (SnNRs) and Na, Mg, and Al-adsorbed SnNRs. The SnNRs, with a width of 10 Sn atoms and hydrogen-passivated edges, retained their hexagonal honeycomb structure after structural optimization. Both pristine and adsorbed SnNRs exhibit narrow band gap semiconducting behavior, with pristine SnNRs being non-magnetic and adsorbed SnNRs showing non-zero magnetic moments. Partial density of states analysis revealed multi-orbital hybridization contributing to the formation of<i>π</i>and<i>σ</i>bonds. Optical property analysis highlighted distinct differences between pristine and adsorbed systems, including optical anisotropy and wavelength-dependent absorption. These results indicate the potential of SnNRs for applications in optical information technology, sensors and photocatalysis.