Investigation on electronic properties of functionalized arsenene nanoribbon and nanotubes: A first-principles study

- The electronic properties of arsenene nanoribbon and nanotubes are studied.
- The electronic properties are influenced by zigzag and armchair borders.
- The orientation, width and passivation of borders modify the electronic properties.
- The findings show that arsenene nanoribbon and nanotubes can be used for spintronics and chemical sensors.

The electronic properties of arsenene nanotubes and nanoribbons with hydrogenation along the zigzag and armchair edges are studied using density functional theory (DFT) technique. The structural stability of hydrogenated zigzag and armchair arsenene nanostructures are confirmed with formation energy. The electronic properties of arsenene nano-conformers are described in terms of energy band structure and projected density of states spectrum. Furthermore, owing to the influence of hydrogen passivation, buckled orientation and width of arsenene nanostructures, the band gap widens in the range of 0.38-1.13 eV. The findings of the present work confirm that the electronic properties of arsenene nanomaterial, can be fine-tuned with the influence of passivation with hydrogen, zigzag or armchair border shapes and effect of the width of nanoribbons or nanotubes, which can be utilized as spintronic device and chemical sensor.

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