Synthesis, electronic structure, and Raman scattering of phosphorous-doped single-wall carbon nanotubes

Journal Article · Thu Jan 01 04:00:00 EST 2009 · Nano Letters

OSTI ID:966104

Sumpter, Bobby G ^[1]; Cruz Silva, Eduardo ^[1]; Meunier, Vincent ^[1]; Terrones Maldonado, Humberto ^[1]; Terrones Maldonado, Mauricio ^[1]; Campos-Delgado, Jessica ^[2]; Jorio, Ado ^[3]; Pimenta, M. A. ^[3]; Rao, A. M. ^[4]; Maciel, I. O. ^[5]

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1. ORNL
2. IPICyT
3. Universidade Federal de Minas Gerais
4. Clemson University
5. Universidad Federal de Minas Gerais

Substitutional phosphorous 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, which is also responsible of generating non-dispersive valence and conduction bands close to the Fermi level. Analysis of electron and phonon renormalization in the double-resonance Raman process confirms the different nature of the phosphorous donor doping (localized) when compared to nitrogen substitutional doping (non-localized) in SWNTs.

• Research Organization: Oak Ridge National Laboratory (ORNL); Center for Nanophase Materials Sciences; Center for Computational Sciences
• Sponsoring Organization: SC USDOE - Office of Science (SC)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 966104
• Journal Information: Nano Letters, Journal Name: Nano Letters Journal Issue: 6 Vol. 9
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
CARBON
ELECTRONIC STRUCTURE
ELECTRONS
FERMI LEVEL
FUNCTIONALS
NANOTUBES
NITROGEN
PHONONS
PHOSPHORUS
RAMAN SPECTROSCOPY
RENORMALIZATION
RESONANCE
SCATTERING
SYNTHESIS
VALENCE