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Modulation of the electronic transport properties of silicon nanotubes via hydrogenation ratio

In this work, electronic transport properties of hydrogenated silicon nanotubes (SiNTs) are studied using first-principles methods. Metallic (4, 4) and (7, 7) SiNTs are simulated using density functional theory combined with non-equilibrium Green’s function formalism. The current–voltage characteristics of these nanotubes are obtained for various hydrogenation ratios considering that hydrogenation provides stability to SiNT structures as studied in the literature. The transmission spectra of the investigated SiNT structures are also given and discussed in order to analyse and extend the obtained current–voltage behaviours. It is shown that the electronic transport properties of SiNTs can be modulated by their hydrogenation ratio and the same type of SiNT shows conducting, non-conducting and negative differential resistance characteristic with different hydrogenation ratios. Obtained results show that the electronic transport behaviours of SiNTs can be adjusted flexibly with hydrogenation which opens new possibilities to SiNT circuit design.