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
@article{paperid:1035127,
author = {Bayani, Amir Hossein and Shahtahmassebi, Nasser and Vahedi, Davoud},
title = {The study of the effect of increasing adsorbed hydrog s atomic percentage on electronic properties of boron-nitride nanotube},
journal = {Physica E},
year = {2013},
volume = {53},
number = {8},
month = {May},
issn = {1386-9477},
pages = {168--172},
numpages = {4},
keywords = {Keywords:
Boron nitridenanotube
Binding energy
Density state
Electron transmission
Energy gap},
}
%0 Journal Article
%T The study of the effect of increasing adsorbed hydrog s atomic percentage on electronic properties of boron-nitride nanotube
%A Bayani, Amir Hossein
%A Shahtahmassebi, Nasser
%A Vahedi, Davoud
%J Physica E
%@ 1386-9477
%D 2013
