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Register a new userEffects of Defects on Thermoelectric Properties of Carbon Nanotubes
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Carbon nanotubes (CNTs) have recently attracted attention as materials for flexible thermoelectric devices. To provide theoretical guideline of how defects influence the thermoelectric performance of CNTs, we theoretically studied the effects of defects (vacancies and Stone-Wales defects) on its thermoelectric properties; thermal conductance, electrical conductance, and Seebeck coefficient. The results revealed that the defects mostly strongly suppresses the electron conductance, and deteriorates the thermoelectric performance of a CNT. By plugging in the results and the intertube-junction properties into the network model, we further show that the defects with realistic concentrations can significantly degrade the thermoelectric performance of CNT-based networks. Our findings indicate the importance of the purification of CNTs for improving CNT-based thermoelectrics.
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We investigate the effects of impurity scattering on the conductance of metallic carbon nanotubes as a function of the relative separation of the impurities. First we compute the conductance of a clean (6,6) tube, and the effect of model gold contacts on this conductance. Then, we compute the effect of introducing a single, two, and three oxygen atom impurities. We find that the conductance of a single-oxygen-doped (6,6) nanotube decreases by about 30 % with respect to that of the perfect nanotube. The presence of a second doping atom induces strong changes of the conductance which, however, depend very strongly on the relative position of the two oxygen atoms. We observe regular oscillations of the conductance that repeat over an O-O distance that corresponds to an integral number of half Fermi-wavelengths ($mlambda_F/2$). These fluctuations reflect strong electron interference phenomena produced by electron scattering from the oxygen defects whose contribution to the resistance of the tube cannot be obtained by simply summing up their individual contributions.
In carbon nanotubes, the most abundant defects, caused for example by irradiation or chemisorption treatments, are small perturbing clusters, i.e. bi-site defects, extending over both A and B sites. The relative positions of these perturbing clusters play a crucial role in determining the electronic properties of carbon nanotubes. Using bandstructure and electronic transport calculations, we find out that in the case of armchair metallic nanotubes a band gap opens up when the clusters fulfill a certain periodicity condition. This phenomenon might be used in future nanoelectronic devices in which certain regions of single metallic nanotubes could be turned to semiconducting ones. Although in this work we study specifically the effect of hydrogen adatom clusters, the phenomenon is general for different types of defects. Moreover, we study the influence of the length and randomness of the defected region on the electron transport through it.
Photoluminescence spectroscopy measurements are performed on suspended carbon nanotubes in a field-effect configuration, and the gate voltage dependence of photoluminescence spectra are compared for the pristine and the molecularly adsorbed states of the nanotubes. We quantify the molecular screening effect on the trion binding energies by determining the energy separation between the bright exciton and the trion emission energies for the two states. The voltage dependence shows narrower voltage regions of constant photoluminescence intensity for the adsorbed states, consistent with a reduction in the electronic bandgap due to screening effects. The charge neutrality points are found to shift after molecular adsorption, which suggests changes in the nanotube chemical potential or the contact metal work function.
Allotropes of carbon, including one-dimensional carbon nanotubes and two-dimensional graphene sheets, continue to draw attention as promising platforms for probing the physics of electrons in lower dimensions. Recent research has shown that the electronic properties of graphene multilayers are exquisitely sensitive to the relative orientation between sheets, and in the bilayer case exhibit strong electronic correlations when close to a magic twist angle. Here, we investigate the electronic properties of a carbon nanotube deposited on a graphene sheet by deriving a low-energy theory that accounts both for rotations and rigid displacements of the nanotube with respect to the underlying graphene layer. We show that this heterostructure is described by a translationally invariant, a periodic or a quasi-periodic Hamiltonian, depending on the orientation and the chirality of the nanotube. Furthermore, we find that, even for a vanishing twist angle, rigid displacements of a nanotube with respect to a graphene substrate can alter its electronic structure qualitatively. Our results identify a promising new direction for strong correlation physics in low dimensions.
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and leads to an increased electrical resistance. Electronic structure calculations show that these energy ranges contain localized states with significant $sigma$-$pi$ hybridization resulting from the increased curvature produced by bending. Our calculations of the contact resistance show that the large contact resistances observed for SWNTs are likely due to the weak coupling of the NT to the metal in side bonded NT-metal configurations.
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