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    STUDIA CHEMIA - Issue no. 2 / 2004  
         
  Article:   ELECTRONIC PROPERTIES OF THE ZIGZAG CARBON-NITRIDE NANOTUBES.

Authors:  SIMONA RADA, IOAN SILAGHI-DUMITRESCU.
 
       
         
  Abstract:  The influence of possible defects of atoms due to deviations from the 1:1 stoechiometry inside of zigzag carbon-nitride nanotubes has been considered in this paper. PM3 calculations demonstrate that small quantities of nitrogen incorporated into carbon nanotube lead to thermodynamic instability relative to the pure carbon nanotubes. This doping of the carbon nitrogen nanotubes does not significantly modify the bands in the vicinity of the Fermi level and these tubes are semiconductors.  
         
     
         
         
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