Synthesis, Electronic Structure, and Raman Scattering of Phosphorus-Doped Single-Wall Carbon Nanotubes
Nano Letters2009Vol. 9(6), pp. 2267–2272
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Indhira O. Maciel, Jessica Campos‐Delgado, Eduardo Cruz‐Silva, M. A. Pimenta, Bobby G. Sumpter, Vincent Meunier, Florentino Lopéz‐Urías, Emilio Muñoz‐Sandoval, Humberto Terrones, Mauricio Terrones, Ado Jório
Abstract
Substitutional phosphorus doping in single-wall carbon nanotubes (SWNTs) is investigated by density functional theory and resonance Raman spectroscopy. Electronic structure calculations predict charge localization on the phosphorus atom, generating nondispersive valence and conduction bands close to the Fermi level. Besides confirming sustitutional doping, accurate analysis of electron and phonon renormalization effects in the double-resonance Raman process elucidates the different nature of the phosphorus donor doping (localized) when compared to nitrogen substitutional doping (nonlocalized) in SWNTs.
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