Journal
NANO LETTERS
Volume 9, Issue 3, Pages 940-944Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nl802798q
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- ACCENT
- CHEMTRONICS
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We present first-principles calculations of quantum transport in chemically functionalized metallic carbon nanotubes with lengths reaching the micrometer scale and random distributions of functional groups. Two typical cases are investigated, namely, a sp(2)-type bonding between carbene groups (CH2) and the nanotube sidewalls and a sp(3)-type bonding of nanotubes with paired phenyl groups. For similar molecular coverage density, charge transport is found to range from a quasi-ballistic-like to a strongly diffusive regime, with corresponding mean free paths changing by orders of magnitude depending on the nature of the chemical bonding.
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