| Abstract
| - Using first principles calculations, we report for the first time that large nearly neutral aromaticmolecules, such as naphthalene and anthracene, and small charge-transfer aromatic molecules, such asTCNQ and DDQ, interact more strongly with metallic single-wall carbon nanotubes (SWNTs) versus theirsemiconducting counterparts as the molecular orientation of DDQ is taken into account. Hence two newmechanisms for separating metallic and semiconducting SWNTs via noncovalent π−π stacking or charge-transfer interaction are suggested.
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