Calculated dependence of vibrational band frequencies of single-walled and double-walled carbon nanotubes on diameter

Vibrational Spectroscopy

Volumn 53, Issue 1, 2010, Pages 163-172

  Aydin, Metin ^a   Akins, Daniel L ^b  

^a ONDOKUZ MAYIS UNIVERSITY   (Turkey)

^b CITY COLLEGE OF NEW YORK   (United States)

Author keywords

DFT calculation; DWNT; IR; Nanotube; Normal Raman; SWNT

Indexed keywords

B3LYP/6-31G; BAND POSITION; BAND REGION; BLUE-SHIFTED; DFT CALCULATION; DIAMETER DEPENDENT; DOUBLE-WALLED CARBON NANOTUBES; ELECTRON DENSITIES; IN-BAND; IR SPECTRUM; LOW FREQUENCY; NANOTUBE DIAMETERS; ODD NUMBERS; OVERLAPPING BANDS; RAMAN BANDS; RAMAN SPECTRA; RELATIVE DISTANCES; SINGLE-WALLED; STRONG DIAMETER; TUBE DIAMETERS; VIBRATIONAL BAND FREQUENCIES; VIBRATIONAL MODES;

DENSITY FUNCTIONAL THEORY; MULTIWALLED CARBON NANOTUBES (MWCN); RAMAN SPECTROSCOPY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

CARBON NANOTUBES;

EID: 77951207060     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2010.02.001     Document Type: Article

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