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Register a new userStructure and formation energy of carbon nanotube caps
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We present a detailed study of the geometry, structure and energetics of carbon nanotube caps. We show that the structure of a cap uniquely determines the chirality of the nanotube that can be attached to it. The structure of the cap is specified in a geometrical way by defining the position of six pentagons on a hexagonal lattice. Moving one (or more) pentagons systematically creates caps for other nanotube chiralities. For the example of the (10,0) tube we study the formation energy of different nanotube caps using ab-initio calculations. The caps with isolated pentagons have an average formation energy 0.29+/-0.01eV/atom. A pair of adjacent pentagons requires a much larger formation energy of 1.5eV. We show that the formation energy of adjacent pentagon pairs explains the diameter distribution in small-diameter nanotube samples grown by chemical vapor deposition.
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We report on the nano-electron beam assisted fabrication of atomically sharp iron-based tips and on the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs). High energy electron beam machining has been proven a powerful tool to modify desired nanostructures for technological applications and to form molecular junctions and interconnections between carbon nanotubes. Recent studies showed the high degree of complexity in the creation of direct interconnections between multiwalled and CNTs having dissimilar diameters. Our technique allows for carving a MWCNT into a nanosoldering iron that was demonstrated capable of joining two separated halves of a tube. This approach could easily be extended to the interconnection of two largely dissimilar CNTs, between a CNT and a nanowire or between two nanowires.
We describe a film of highly-aligned single-walled carbon nanotubes that acts as an excellent terahertz linear polarizer. There is virtually no attenuation (strong absorption) when the terahertz polarization is perpendicular (parallel) to the nanotube axis. From the data we calculated the reduced linear dichrosim to be 3, corresponding to a nematic order parameter of 1, which demonstrates nearly perfect alignment as well as intrinsically anisotropic terahertz response of single-walled carbon nanotubes in the film.
We present a tight binding theory to analyze the motion of electrons between carbon nanotubes bundled into a carbon nanotube rope. The theory is developed starting from a description of the propagating Bloch waves on ideal tubes, and the effects of intertube motion are treated perturbatively in this basis. Expressions for the interwall tunneling amplitudes between states on neighboring tubes are derived which show the dependence on chiral angles and intratube crystal momenta. We find that conservation of crystal momentum along the tube direction suppresses interwall coherence in a carbon nanorope containing tubes with random chiralities. Numerical calculations are presented which indicate that electronic states in a rope are localized in the transverse direction with a coherence length corresponding to a tube diameter.
In order to accommodate an increasing demand for carbon nanotubes (CNTs) with desirable characteristics one has to understand the origin of helicity of their structures. Here, through in situ microscopy we demonstrate that the nucleation of a carbon nanotube is initiated by the formation of the carbon cap. Nucleation begins with the formation of a graphene embryo that is bound between opposite step-edges on the nickel catalyst surface. The embryo grows larger as the step-edges migrate along the surface, leading to the formation of a curved carbon cap when the steps flow across the edges of adjacent facets. Further motion of the steps away from the catalyst tip with attached rims of the carbon cap generates the wall of the nanotube. Density Functional Theory calculations bring further insight into the process, showing that step flow occurs by surface self diffusion of the nickel atoms via a step-edge attachment-detachment mechanism. Since the fact that cap forms first in the sequence of stages involved in nanotube growth, we suggest that it originates the helicity of the nanotube. Therefore, the angular distribution of catalyst facets could be exploited as a new parameter for controlling the curvature of the cap and, presumably, the helicity of the nanotube.
We report on single-wall carbon nanotube (SWCNT) specific $^{13}$C isotope enrichment. The high temperature annealing of isotope enriched fullerenes encapsulated in SWCNTs yields double-wall carbon nanotubes (DWCNTs) with a high isotope enrichment of the inner wall. The vibrational spectra evidences that no carbon exchange occurs between the two walls. The method facilitates the identification of the Raman signal of the outer and inner tubes. Nuclear magnetic resonance proves the significant contrast of the isotope enriched SWCNTs as compared to other carbon phases, and provides information on the electronic properties of the small diameter inner tubes of the DWCNTs.
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