A theoretical investigation of the effect of adsorbed NO2 molecules on electronic transport in semiconducting single-walled carbon nanotubes

Carbon ◽  
2011 ◽  
Vol 49 (3) ◽  
pp. 955-965 ◽  
Author(s):  
Shang-Chieh Hsieh ◽  
Shih-Min Wang ◽  
Feng-Yin Li
Keyword(s):  
Carbon Nanotubes ◽  
Theoretical Investigation ◽  
Electronic Transport ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Theoretical investigation on the hydrogenation of armchair single-walled carbon nanotubes

2003 ◽  
Vol 635 (1-3) ◽  
pp. 203-210 ◽  
Author(s):  
Ruifang Li ◽  
Zhenfeng Shang ◽  
Guichang Wang ◽  
Yinming Pan ◽  
Xuezhuang Zhao
Keyword(s):  
Carbon Nanotubes ◽  
Theoretical Investigation ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Electronic transport properties of ascorbic acid and nicotinamide adsorbed on single-walled carbon nanotubes

2011 ◽  
Vol 506 (4-6) ◽  
pp. 233-238 ◽  
Author(s):  
Vivian M. de Menezes ◽  
Alexandre R. Rocha ◽  
Ivana Zanella ◽  
Ronaldo Mota ◽  
Adalberto Fazzio ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ascorbic Acid ◽  
Transport Properties ◽  
Electronic Transport ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Electronic Transport Properties ◽  
Walled Carbon Nanotubes

THE EFFECTS OF CO-DOPING OF B AND N ON THE ELECTRONIC TRANSPORT OF SINGLE-WALLED CARBON NANOTUBES

2011 ◽  
Vol 25 (14) ◽  
pp. 1211-1218 ◽  
Author(s):  
JIANWEI WEI ◽  
HUI ZENG ◽  
LICHUN PU ◽  
JUNWU LIANG ◽  
HUIFANG HU ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Electronic Transport ◽  
Density Functional ◽  
Covalent Bond ◽  
Single Walled Carbon Nanotubes ◽  
First Principle Calculation ◽  
Single Walled Carbon ◽  
Co Doping ◽  
Walled Carbon Nanotubes

Based on first-principle calculation, the geometry and electronic transport properties of the boron and nitrogen co-doping single-walled carbon nanotubes are investigated by using density functional theory combined with non-equilibrium Green's functions. The results show that the BN atoms energetically tend to form covalent bond of BN along axis in the nanotubes. In contrast to solely B or N doping, the co-doping do not generate accepter or donor subbands near the Fermi level. The co-doping give rise to the reduction of band gap in semiconducting (10, 0) tube and, furthermore, introduces the band gap to the metallic (5, 5) tube.

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