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

Pramana

A H BAYANI¹  R AZIMIRAD²  S SAFA1² 

[1] Institute of Nanoscience and Nanotechnology, Kashan University, Kashan, Iran$$;Nanophysics Group, Malek-Ashtar University of Technology, Tehran, Iran$$

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

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

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.

【 授权许可】

Unknown