• The effect of concentration of H$_2$ physisorption on the current–voltage characteristic of armchair BN nanotubes in CNT–BNNT–CNT set

• Fulltext

https://www.ias.ac.in/article/fulltext/pram/087/04/0046

• Keywords

Hydrogen molecules; physisorption; boron nitride nanotube; transport property; current–voltage characteristic.

• Abstract

In this research, we have studied physisorption of hydrogen molecules on armchair boron nitride (BN) nanotube (3,3) using density functional methods and its effect on the current–voltage ($I–V$) characteristic of the nanotube as a function of concentration using Green’s function techniques. The adsorption geometries and energies, charge transfer and electron transport are calculated. It is found that H$_2$ physisorption can suppress the $I–V$ characteristic of the BN nanotube, but it has no effect on the band gap of the nanotube. As the H$_2$concentration increases, under the same applied bias voltage, the current through the BN nanotube first increases and then begins to decline. The current–voltage characteristic indicates that H$_2$ molecules can be detected by aBN-based sensor.

• Author Affiliations

1. Nanophysics Group, Malek-Ashtar University of Technology, Tehran, Iran
2. Institute of Nanoscience and Nanotechnology, Kashan University, Kashan, Iran

• Pramana – Journal of Physics

Volume 95, 2021
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Posted on July 25, 2019