Theoretical investigation of electronic bandgaps of semiconducting single-walled carbon nanotubes using semi-empirical self-consistent tight binding and ab-inito density functional methods
نویسندگان
چکیده
منابع مشابه
investigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولTwo-Dimensional Electronic Spectroscopy of Semiconducting Single-Walled Carbon Nanotubes
Application of 2D Fourier transform electronic spectroscopy to semiconducting SWNTs is demonstrated to decongest complex exciton dynamics. Analysis provides the E22 homogeneous linewidth, and elucidates the roles of vibrational and multi-exciton states in population relaxation.
متن کاملElectronic Raman Scattering On Individual Semiconducting Single Walled Carbon Nanotubes
We report experimental measurements of electronic Raman scattering by electrons (holes) in individual single-walled carbon nanotubes (SWNTs) under resonant conditions. The Raman scattering at low frequency range reveals a single particle excitation feature. And the dispersion of electronic structure around the center of Brillouin zone of a semiconducting SWNT (14, 13) is extracted.
متن کاملExciton binding energy in semiconducting single-walled carbon nanotubes.
The exciton binding energy serves as a critical criterion for identification of the nature of elementary excitations (neutral excitons versus a pair of charged carriers) in semiconductor materials. An exciton binding energy of 0.41 eV is determined experimentally for a selected nanotube type, the (8,3) tube, confirming the excitonic nature of the elementary excitations. This determination is ma...
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ONIOM calculation is carried out to estimate the acidity of five aliphatic alcohols before and after adsorbing on the tip of (8,0) single-walled carbon nanotube. The ONIOM method is performed using a combination of density functional theory and AM1 semiemperical method for alcohols and their corresponding conjugated bases. Deprotonation Gibbs free energies of alcohols are calculated and compare...
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ژورنال
عنوان ژورنال: Journal of Physics Communications
سال: 2020
ISSN: 2399-6528
DOI: 10.1088/2399-6528/ab62c0