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  1. 1 Acta Physica Polonica A

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  1. 1 2016

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  1. 1 Bayani A.

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Influence of the Hydrogen Adsorption to the Optical Properties of Boron Nitride Nanotubes

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Bayani A.
Acta Physica Polonica A
|
2016
|
vol. 129
|
issue 3
348-351
EN
In this research we have studied physisorption of hydrogen molecules on armchair (3,3) boron-nitride nanotube using density functional methods. Optical properties of the boron-nitride nanotube, with and without adsorbed H₂ molecules, were investigated under parallel and perpendicular polarized electric fields. The results indicate that the nanotube optical gap slightly changes due to H₂ physisorption and increasing H₂ physisorption suppresses the boron-nitride nanotube optical spectrum. Also, the nanotube gets more transparent as the H₂ concentration increases, in other words boron-nitride nanotube dielectric function decreases. Anisotropic dielectric function is another result which is determined by random phase approximation method.
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