Lopez-Bezanilla, Alejandro and Blase, Xavier and Roche, Stephan (2010) Quantum transport properties of chemically functionalized long semiconducting carbon nanotubes. Nano Research, 3 (4). pp. 288-295.
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We present a first-principles study of the electronic transport properties of micrometer long semiconducting carbon nanotubes randomly covered with carbene functional groups. Whereas prior studies suggested that metallic tubes are hardly affected by such addends, we show here that the conductance of semiconducting tubes with standard diameter is, on the contrary, severely damaged. The configurational-averaged conductance as a function of tube diameter, with a coverage of up to one hundred molecules, is extracted. Our results indicate that the search for a conductance-preserving covalent functionalization route remains a challenging issue.
|Uncontrolled Keywords:||Nanotubes, functionalization, carbene, electronic transport|
|Subjects:||Material Science > Functional and hybrid materials|
Physical Science > Nanoelectronics
Physical Science > Quantum phenomena
Material Science > Nanochemistry
|Deposited By:||Lesley Tobin|
|Deposited On:||30 Aug 2010 16:06|
|Last Modified:||30 Aug 2010 16:06|
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