Physica E, ( ISI ), Volume (53), No (8), Year (2013-5) , Pages (168-172)

Title : ( The study of the effect of increasing adsorbed hydrog s atomic percentage on electronic properties of boron-nitride nanotube )

Authors: Amir Hossein Bayani , Nasser Shahtahmassebi , davoud vahedi ,
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Abstract

The bindingenergyofchemicallyadsorbedhydrogenatomsonboronnitridenanotube(3,3)wasstudied within densityfunctionaltheory(DFT).Resultsshowthatelectronicpropertiesofboronnitridenanotube are stronglyaffectedbytheadsorptionofhydrogenatomswithdifferentatomicpercentagesreducing the HOMOLUMOgap.Theincrementintheatomicpercentagewilldirectlyreducethegapcreating states intheupperpartofthegap.Itisalsoshownthatthehydrogenatomhasthemoststeadystateat 1.02Ådistancefromnitrogenatom

Keywords

Keywords: Boron nitridenanotube Binding energy Density state Electron transmission Energy gap