Journal
NANO LETTERS
Volume 9, Issue 6, Pages 2267-2272Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nl9004207
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Funding
- FAPEMIG
- Rede Nacional de Pesquisa em Nanotubos de Carbono
- Rede National de SPM
- Instituto de Nanotecnologia (MCT-CNPq)
- CAPES/DAAD-Probral
- CONACYT-Mexico [56787]
- Laboratory for Nanoscience and Nanotechnology ResearchLINAN [45762, 45772]
- Fondo Mixto de San Luis Potosi [63001 S-3908, 2004-01-013/SALUDCONACYT, 63072 S-3909]
- Division of Materials Science and Engineering, U.S. Department of Energy
- Center for Nanophase Materials Sciences (CNMS)
- Division of Scientific User Facilities
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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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