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Encapsulating C59N azafullerene derivatives inside single-wall carbon nanotubes  [PDF]
F. Simon,H. Kuzmany,J. Bernardi,F. Hauke,A. Hirsch
Physics , 2006, DOI: 10.1002/pssb.200669200
Abstract: Filling of single-wall carbon nanotubes with C59N azafullerene derivatives is reported from toluene solvent at ambient temperature. The filling is characterized by high resolution transmission electron microscopy and Raman spectroscopy. The filling efficiency is the same as for C60 fullerenes and the tube-azafullerene interaction is similar to the tube-C60 interaction. Vacuum annealing of the encapsulated azafullerene results in the growth of inner tubes, however no spectroscopic signature of nitrogen built in the inner walls is detected.
Growth of single wall carbon nanotubes from $^{13}$C isotope labelled organic solvents inside single wall carbon nanotube hosts  [PDF]
Ferenc Simon,Hans Kuzmany
Physics , 2006, DOI: 10.1016/j.cplett.2006.04.094
Abstract: Exploring the synthesis of novel molecular nanostructures has been in the forefront of material research in the last decade. One of the most interesting nanostructures are single wall carbon nanotubes (SWCNTs). Their catalyst free growth, however, remains an elusive goal. Here, we present the growth of single wall carbon nanotubes from organic solvents such as benzene and toluene in a confined environment, inside a host SWCNT. The solvents encapsulated in SWCNTs are transformed to an inner tube when subject to a heat treatment under dynamic vacuum at 1270 $^{\circ}$C. We used isotope labeling of the different carbon sources to prove that the source of the inner tubes is indeed the solvent. Our results put constraints on the models explaining the inner tube growth and provides a simple alternative for the fullerene based inner tube growth. It also provides the possibility to study a completely new field of in-the-tube chemistry.
Formation and Properties of Selenium Double-Helices inside Double-Wall Carbon Nanotubes: Experiment and Theory  [PDF]
Toshihiko Fujimori,Renato Batista dos Santos,Takuya Hayashi,Morinobu Endo,Katsumi Kaneko,David Tománek
Physics , 2013,
Abstract: We report the production of covalently bonded selenium double-helices within the narrow cavity inside double-wall carbon nanotubes. The double-helix structure, characterized by high-resolution transmission electron microscopy and X-ray diffraction, is completely different from the bulk atomic arrangement and may be considered a new structural phase of Se. Supporting ab initio calculations indicate that the observed encapsulated Se double-helices are radially compressed and have formed from free Se atoms or short chains contained inside carbon nanotubes. The calculated electronic structure of Se double-helices is very different from the bulk system, indicating the possibility to develop a new branch of Se chemistry.
Altered Cell Mechanics from the Inside: Dispersed Single Wall Carbon Nanotubes Integrate with and Restructure Actin  [PDF]
Brian D. Holt,Hengameh Shams,Travis A. Horst,Saurav Basu,Andrew D. Rape,Yu-Li Wang,Gustavo K. Rohde,Mohammad R. K. Mofrad,Mohammad F. Islam,Kris Noel Dahl
Journal of Functional Biomaterials , 2012, DOI: 10.3390/jfb3020398
Abstract: With a range of desirable mechanical and optical properties, single wall carbon nanotubes (SWCNTs) are a promising material for nanobiotechnologies. SWCNTs also have potential as biomaterials for modulation of cellular structures. Previously, we showed that highly purified, dispersed SWCNTs grossly alter F-actin inside cells. F-actin plays critical roles in the maintenance of cell structure, force transduction, transport and cytokinesis. Thus, quantification of SWCNT-actin interactions ranging from molecular, sub-cellular and cellular levels with both structure and function is critical for developing SWCNT-based biotechnologies. Further, this interaction can be exploited, using SWCNTs as a unique actin-altering material. Here, we utilized molecular dynamics simulations to explore the interactions of SWCNTs with actin filaments. Fluorescence lifetime imaging microscopy confirmed that SWCNTs were located within ~5 nm of F-actin in cells but did not interact with G-actin. SWCNTs did not alter myosin II sub-cellular localization, and SWCNT treatment in cells led to significantly shorter actin filaments. Functionally, cells with internalized SWCNTs had greatly reduced cell traction force. Combined, these results demonstrate direct, specific SWCNT alteration of F-actin structures which can be exploited for SWCNT-based biotechnologies and utilized as a new method to probe fundamental actin-related cellular processes and biophysics.
Recent advances in the internal functionalization of carbon nanotubes: synthesis, optical, and magnetic resonance studies  [PDF]
Ferenc Simon,Rudolf Pfeiffer,Hans Kuzmany
Physics , 2007,
Abstract: The hollow inside of single-wall carbon nanotubes (SWCNT) provides a unique degree of freedom to investigate chemical reactions inside this confined environment and to study the tube properties. It is reviewed herein, how encapsulating fullerenes, magnetic fullerenes, $^{13}$C isotope enriched fullerenes and organic solvents inside SWCNTs enables to yield unprecedented insight into their electronic, optical, and interfacial properties and to study their growth. Encapsulated C$_{60}$ fullerenes are transformed to inner tubes by a high temperature annealing. The unique, low defect concentration of inner tubes makes them ideal to study the effect of diameter dependent treatments such as opening and closing of the tubes. The growth of inner tubes is achieved from $^{13}$C enriched encapsulated organic solvents, which shows that fullerenes do not have a distinguished role and it opens new perspectives to explore the in-the-tube chemistry. Encapsulation of magnetic fullerenes, such as N@C$_{60}$ and C$_{59}$N is demonstrated using ESR. Growth of inner tubes from $^{13}$C enriched fullerenes provides a unique isotope engineered heteronuclear system, where the outer tubes contain natural carbon and the inner walls are controllably $^{13}$C isotope enriched. The material enables to identify the vibrational modes of inner tubes which otherwise strongly overlap with the outer tube modes. The $^{13}$C NMR signal of the material is specific for the small diameter SWCNTs. Temperature and field dependent $^{13}$C $T_1$ studies show a uniform metallic-like electronic state for all inner tubes and a low energy, ~3 meV gap is observed that is assigned to a long sought Peierls transition.
Ferroelectricity of Ice Nanotubes inside Carbon Nanotubes  [PDF]
Chuanfu Luo,Wei Fa,Jinming Dong
Physics , 2007, DOI: 10.1021/nl072642r
Abstract: We report that ice nanotubes with odd number of side faces inside carbon nanotubes exhibit spontaneous electric polarization along its axes direction by using molecular dynamics simulations. The mechanism of this nanoscale quasi-one-dimensional ferroelectricity is due to low dimensional confinement and the orientational order of hydrogen bonds. These ferroelectric fiber structural materials are different from traditional perovskite structural bulk materials.
Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes  [PDF]
K. S. Troche,V. R. Coluci,R. Rurali,D. S. Galv?o
Physics , 2006,
Abstract: In this work we investigated the encapsulation of C$_20$ and C$_30$ fullerenes into semiconducting carbon nanotubes to study the possibility of bandgap engineering in such systems. Classical molecular dynamics simulations coupled to tight-binding calculations were used to determine the conformational and electronic properties of carbon nanotube supercells containing up to 12 fullerenes. We have observed that C$_20$ fullerenes behave similarly to a p-type dopant while C$_30$ ones work as n-type ones. For larger diameter nanotubes, where fullerene patterns start to differ from the linear arrangements (peapods), the doping features are preserved for both fullerenes, but local disorder plays an important role and significantly alters the electronic structure. The combined incorporation of both fullerene types (hybrid encapsulation) into the same nanotube leads to a behavior similar to that found in electronic junctions in Silicon-based electronic devices. These aspects can be exploited in the design of nanoelectronic devices using semiconducting carbon nanotubes.
Hydrogen-induced disintegration of fullerenes and nanotubes: An ab initio study  [PDF]
Savas Berber,David Tomanek
Physics , 2009, DOI: 10.1103/PhysRevB.80.075427
Abstract: We use ab initio density functional calculations to study hydrogen-induced disintegration of single- and multi-wall carbon fullerenes and nanotubes. Our results indicate that hydrogen atoms preferentially chemisorb along lines in sp2 bonded carbon nanostructures, locally weakening the carbon bonds and releasing stress. For particular structural arrangements, hydrogen helps to relieve the accumulated stress by inducing step-wise local cleavage leading to disintegration of the outermost wall.
Enhanced thermal stability and spin-lattice relaxation rate of N@C60 inside carbon nanotubes  [PDF]
S. Toth,D. Quintavalle,B. Nafradi,L. Korecz,L. Forro,F. Simon
Physics , 2008, DOI: 10.1103/PhysRevB.77.214409
Abstract: We studied the temperature stability of the endohedral fullerene molecule, N@C60, inside single-wall carbon nanotubes using electron spin resonance spectroscopy. We found that the nitrogen escapes at higher temperatures in the encapsulated material as compared to its pristine, crystalline form. The temperature dependent spin-lattice relaxation time, T_1, of the encapsulated molecule is significantly shorter than that of the crystalline material, which is explained by the interaction of the nitrogen spin with the conduction electrons of the nanotubes.
Theory of Conductivity in Semiconducting Single-Wall Carbon Nanotubes  [PDF]
Shigeji Fujita, Salvador Godoy, Akira Suzuki
Journal of Modern Physics (JMP) , 2012, DOI: 10.4236/jmp.2012.310191
Abstract: The conduction of a single-wall carbon nanotube depends on the pitch. If there are an integral number of carbon hexagons per pitch, then the system is periodic along the tube axis and allows “holes” (not “electrons”) to move inside the tube. This case accounts for a semiconducting behavior with the activation energy of the order of around 3 meV. There is a distribution of the activation energy since the pitch and the circumference can vary. Otherwise nanotubes show metallic behaviors (significantly higher conductivity). “Electrons” and “holes” can move in the graphene wall (two dimensions). The conduction in the wall is the same as in graphene if the finiteness of the circumference is disregarded. Cooper pairs formed by the phonon exchange attraction moving in the wall is shown to generate a temperature-independent conduction at low temperature (3 - 20 K).
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