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

Chúng tôi vui mừng thông báo rằng Prof. Dr Trần Công Phong và các đồng nghiệp gần đây đã xuất bản công trình của họ có tựa đề "Electromagnetic and optical properties of Na, Mg, and Al-adsorbed stanene nanoribbons: potential applications" trên tạp chí Journal of Physics: Condensed Matter

Tóm tắt:

Density functional theory (DFT) combined with the Vienna ab initio 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 π and σ 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.