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Relevant bibliographies by topics / Armchair Nanotube

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Academic literature on the topic 'Armchair Nanotube'

Author: Grafiati

Published: 3 June 2025

Last updated: 23 June 2025

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Journal articles on the topic "Armchair Nanotube"

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Yumura, Takashi, and Toshiyuki Kanemitsu. "Properties of Reaction Intermediates from Unzipping Nanotubes via the Diketone Formation: A Computational Study." Journal of Nanomaterials 2012 (2012): 1–10. http://dx.doi.org/10.1155/2012/612672.

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We investigated properties of an armchair nanotube attached by specific numbers of diketone groups along the tube axis using density functional theory (DFT) calculations. The results from DFT calculations show that multiple diketone attachments into an armchair nanotube cleave the CC bonds along the tube axis, forming a large hole. Then, the six-membered rings surrounding the hole are planarized, and zigzag edges appear. Due to these geometrical changes, the functionalized armchair nanotubes exhibit properties similar to those in corresponding graphene ribbons with zigzag edges. For example, diketone-attached nanotubes have a spin-polarized ground state with frontier orbitals whose amplitudes are localized at diketone O atoms. As a consequence of the existence of the localized orbitals, unpaired electrons appear only on the diketone O atoms in an armchair nanotube.

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Torres, Camila, Ignacio Villarroel, Roberto Rozas, and Leonor Contreras. "Carbon Nanotubes Having Haeckelite Defects as Potential Drug Carriers. Molecular Dynamics Simulation." Molecules 24, no. 23 (2019): 4281. http://dx.doi.org/10.3390/molecules24234281.

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Carbon nanotubes (CNTs) are valuable drug carriers since when properly functionalized they transport drugs and anchor directly to cancerous tumors whose more acidic pH causes the drug release. Herein, we study the so-called zigzag and armchair CNTs with haeckelite defects to rank their ability to adsorb doxorubicin (DOX) by determining the DOX-CNT binding free energies using the MM/PBSA and MM/GBSA methods implemented in AMBER. Our results reveal stronger DOX-CNT interactions for encapsulation of the drug inside the nanotube compared to its adsorption onto the defective nanotube external surface. Armchair CNTs with one and two defects exhibit better results compared with those with four and fifteen defects. Each haeckelite defect consists of a pair of square and octagonal rings. DOX-CNT binding free energies are predicted to be dependent on: (i) nanotube chirality and diameter, (ii) the number of defects, (iii) nitrogen doping and (iv) the position of the encapsulated DOX inside the nanotube. Armchair (10,10) nanotubes with two haeckelite defects, doped with nitrogen, exhibit the best drug-nanotube binding free energies compared with zigzag and fully hydrogenated nanotubes and, also previously reported ones with bumpy defects. These results contribute to further understanding drug-nanotube interactions and their potential application to the design of new drug delivery systems.

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Alexeev, Alexandr, and Sergey N. Filimonov. "Density Functional Theory Investigations of Carbon Nanotube Unzipping on Cu(111)." Surfaces 7, no. 4 (2024): 1052–59. https://doi.org/10.3390/surfaces7040069.

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The mechanism of carbon nanotube unzipping on a Cu(111) surface was investigated using density functional theory calculations. Optimized structures of armchair and zigzag carbon nanotubes of various sizes were considered, and their energies were compared to those of corresponding planar graphene nanoribbons. The results demonstrate that the flat configuration on the Cu(111) surface is energetically more favorable than the tubular one. As the nanotube diameter increases, the energy difference between the tubular and flat forms decreases due to the reduction in curvature of the nanotubes. Additionally, the energy gain associated with the transformation from nanotubes to nanoribbons is more significant for the zigzag-type structure than for the armchair-type one, suggesting that zigzag carbon nanotubes open more readily on Cu(111). Hypothetical intermediate states in the nanotube-to-nanoribbon transformation were also explored, providing valuable insights into the mechanism of this process.

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Hou, Wenyi, and Shaoping Xiao. "Mechanical Behaviors of Carbon Nanotubes with Randomly Located Vacancy Defects." Journal of Nanoscience and Nanotechnology 7, no. 12 (2007): 4478–85. http://dx.doi.org/10.1166/jnn.2007.862.

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In this paper, 10 0 zigzag nanotubes and (6, 6) armchair nanotubes are considered to investigate the effects of randomly distributed vacancy defects on mechanical behaviors of single-walled carbon nanotubes. A spatial Poisson point process is employed to randomly locate vacancy defects on nanotubes. Atomistic simulations indicate that the presence of vacancy defects result in reducing nanotube strength but improving nanotube bending stiffness. In addition, the studies of nanotube torsion indicate that vacancy defects prevent nanotubes from being utilized as torsion springs.

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MERCAN, Kadir, and Ömer CİVALEK. "Critical Buckling Load of SiCNTs: A Molecular Dynamics Study on Gas Sensing." International Journal of Engineering and Applied Sciences 14, no. 1 (2022): 40–52. http://dx.doi.org/10.24107/ijeas.1151308.

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Silicon carbide nanotube (SiCNT) come forward in the great variety of nanotubes with higher durability until 1600 oC (in air) while carbon nanotube can stay stable until 600 oC (in air). First five buckling loads of single SiCNT placed between source and drain metal electrodes in nano sized field effect transistors (FET) is investigated using two different molecular dynamics methods. L.A.M.M.P.S. software and Gromacs package is used to perform molecular dynamics analyzes. Armchair structure of SiCNT with chiralities (10,0), (12, 0), (14, 0), (16, 0) were selected with 400, 480, 560, 640 atoms respectively. Results demonstrate clearly that longest nanotube perform lower stability as nanotubes becomes fragile with more atom numbers. Except from (10, 0) armchair SiCNT, first mode occurs at lowest load and rise as the number of mode arise.

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Nirala, Nitish, and Nabin Kumar. "Band Gap Mechanism for Armchair Single Walled Carbon Nanotubes and Metal Semiconductor Transition for Symmetry Breaking." Bulletin of Pure and Applied Sciences – Physics 42, no. 2 (2023): 75–79. http://dx.doi.org/10.48165/bpas.2023.42d.2.2.

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We have studied structures of single walled carbon nanotubes and metal semiconductor transition for the symmetric breaking. It was found that band gap existed for metallic armchair single walled carbon nanotubes. Calculations were made to analyse the meta-stability of the corrugated structures of armchair single walled carbon nanotubes. The corrugated single walled carbon nanotube structures are always lower in energy than the non corrugated nanotubes. The curvature effect was that the corrugated structure breaks the local symmetry between different carbon atoms. A true gap is created which does not vanish even when an external magnetic field is swept. The corrugation length and band gap gaps are decaying functions of the nanotubes radius and approached zero for carbon nanotube such as graphene. This was also true for zigzag and chiral single wall carbon nanotubes. The obtained results were found in good agreement with previously obtained results.

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Rouhi, S., R. Ansari, and A. Nikkar. "On the vibrational characteristics of single-walled boron nitride nanotubes/polymer nanocomposites: A finite element simulation." Modern Physics Letters B 31, no. 22 (2017): 1750208. http://dx.doi.org/10.1142/s0217984917502086.

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The finite element method is used here to investigate the vibrational behavior of single-walled boron nitride nanotube/polymer nanocomposites. The polymer matrix is modeled as a continuous media. Besides, nanotubes are modeled as a space-frame structure. It is shown that increasing the length of nanotubes at a constant volume fraction leads to decreasing of the nanocomposite frequency. By investigating the effect of volume percentage on the frequencies of the boron nitride nanotube-reinforced polymer nanocomposites, it is observed that for short nanotubes, the nanocomposites with larger nanotube volume fractions have larger frequencies. Also, through studying the first 10 frequencies of nanocomposites reinforced by armchair and zigzag nanotubes, it is shown that the effect of chirality on the vibrational behavior of nanocomposite is insignificant.

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Jain, Sandeep Kumar, and Pankaj Srivastava. "Ab Inito Study of Absorption Spectra in Ultra Small Diameter Single Walled Boron Nanotubes." Advanced Materials Research 217-218 (March 2011): 16–20. http://dx.doi.org/10.4028/www.scientific.net/amr.217-218.16.

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We have investigated the absorption spectra in ultra small diameter single walled boron nanotubes for parallel and perpendicular polarized light as well as unpolarized light. In this paper we have studied absorption spectra for armchair (3,3),zigzag (5,0) and chiral (4,2) boron nanotubes containing 12, 20 and 56 atoms respectively. It is observed that absorption is highest for armchair followed by zigzag and chiral nanotubes. It is also found that absorption is higher for (3,3) and (5,0) nanotubes for perpendicular polarized light as compared to parallel polarized light, whereas chiral nanotube shows higher and wide range of absorption for parallel polarized light instead of perpendicular polarized light. We have compared our results with SWCNT and SWBNNT of same chiral vectors.

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Malysheva, Lyuba. "Effects of chirality in the electron transmission through step-like potential in zigzag, armchair, and (2m,m) carbon nanotubes." Low Temperature Physics 48, no. 11 (2022): 907–13. http://dx.doi.org/10.1063/10.0014581.

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We report the one-electron spectrum and eigenstates of infinite achiral and chiral (2 m, m) carbon nanotubes found by using the analytic solution to the Schrödinger equation for the tight-binding Huckel-type Hamiltonian. With the help of matching the wave functions on the interfaces between the regions, where electrons have different site energies, we find and compare the transmission coefficients for zigzag, armchair and chiral nanotubes subjected to the action of an applied step-like potential. The correspondence between the nanotube band structure and the energy dependence of the transmission coefficient is demonstrated. It is shown that the (2 m, m) nanotubes with a medium chiral angle reveal intermediate transport properties as compared with the achiral armchair, and zigzag nanotubes.

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HIEU, NGUYEN NGOC, and NGUYEN PHAM QUYNH ANH. "ELECTRONIC BAND STRUCTURE OF CARBON NANOTUBES WITH QUINOID STRUCTURE." Modern Physics Letters B 27, no. 25 (2013): 1350179. http://dx.doi.org/10.1142/s0217984913501790.

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In this paper, we fully describe the geometry of atomic structure of carbon nanotube with quinoid structure. Electronic energy band structure of carbon nanotubes with quinoid structure is studied by tight-binding approximation. In the presence of bond alternation, calculations show that only armchair (n, n) carbon nanotube (without twisting) remains metallic and zigzag (3ν - 1, -3ν + 1) CNT becomes metallic at the critical elongation. Effect of deformation on the change of band gap is also calculated and discussed.

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Dissertations / Theses on the topic "Armchair Nanotube"

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Проценко, Олена Борисівна, Елена Борисовна Проценко, Olena Borysivna Protsenko та В. В. Емельяненко. "Математическое моделирование упругих свойств однослойных углеродных нанотрубок типа "armchair"". Thesis, Видавництво СумДУ, 2009. http://essuir.sumdu.edu.ua/handle/123456789/7235.

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Rodriguez, Kenneth R. "Building Blocks for Nanotechnology: Energetics and Structure of Acetylenic Chanis, Cumulenic Chains and the [5,5] Armchair Single-Walled Nanotube." The Ohio State University, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=osu1419949909.

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Проценко, Олена Борисівна, Елена Борисовна Проценко, Olena Borysivna Protsenko та В. М. Литвиненко. "Розробка математичної моделі одношарової вуглецевої нанотрубки типу "ARMCHAIR" при повздовжній та поперечній деформації". Thesis, Вид-во СумДУ, 2008. http://essuir.sumdu.edu.ua/handle/123456789/21037.

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Fort, Eric Henry. "Developing Methods for Growing Single-Chirality Carbon Nanotubes and Other Aromatic Systems." Thesis, Boston College, 2010. http://hdl.handle.net/2345/1531.

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Thesis advisor: Lawrence T. Scott<br>The work described herein stems from an effort to develop a method for growing single-chirality carbon nanotubes from small hydrocarbon templates using a Diels-Alder cycloaddition/rearomatization strategy. Current technologies are incapable of producing significant amounts of homogeneous carbon nanotubes; therefore, much research has been put into the development of aromatic templates (belts and bowls), from which one type of nanotube might be grown (Chapter 1). Since no such functional template had yet been synthesized, the work in this dissertation developed reagents and methods for forming new benzene rings on aromatic test systems that would be analogous to the rim of a growing nanotube (Chapters 2 and 4). Theoretical investigations relating to nanotube dimensions (Chapter 3) were undertaken and paired with experimental work that would take into consideration the changing properties of growing tubes (Chapter 5). The test systems used for discovering new reagents for growth also became functional platforms for studies of new reactivity of polycyclic aromatic hydrocarbons (PAHs), such as bay-region oxidation (Chapter 6) and progress toward the synthesis of soluble graphene ribbons (Chapter 7). This PAH work also resulted in the observation of unique solid state properties in the crystal form (Chapter 8) and novel reactivity, generating five-membered rings by Scholl reactions of tethered PAHs (Chapter 9). Additional considerations for future nanotube templates and fullerene precursors also bore scrutiny (Chapter 10)<br>Thesis (PhD) — Boston College, 2010<br>Submitted to: Boston College. Graduate School of Arts and Sciences<br>Discipline: Chemistry

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Проценко, Олена Борисівна, Елена Борисовна Проценко, Olena Borysivna Protsenko, Вікторія Володимирівна Ємельяненко, Виктория Владимировна Емельяненко, and Viktoriia Volodymyrivna Yemelianenko. "The analysis of the elastic properties of armchair and zigzag single-walled carbon nanotubes." Thesis, Sumy State University, 2011. http://essuir.sumdu.edu.ua/handle/123456789/20630.

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Computation simulation is a powerful tool for predictiong the mechanics models of elastic properties of armchair and zigzag single-walled nanotubes. The aim of this work is investigation and comparison of Young’s modulus, shear modulus and Poisson’s ratio variations of armchair and zigzag tubes as functions of diameter. We obtained a set of concise, closed form expressions for the size-dependent elastic modulus, shear modulus and Poisson’s ratio of armchair (n, n) and zigzag (n, 0) nanotubes, which are basic for constructing mathematical models of elastic properties of SWNTs. We investigated armchair nanotubes with chirality (3, 3)–(40, 40) and zigzag (3, 0)–(40, 0) with diameters 4,2–54,2 Å and 2,4–31,3 Å respectively. We calculated Young’s modulus to be 0,26–2,95 TPa for armchair and 0,5–3,7 TPa for zigzag nanotubes. The shear modulus calculated for armchair nanotube appeared to be in the range of 0,2–2,0 TPa and for zigzag one in the range of 0,2–2,7 TPa. Specifically, it was inverse dependences of Young’s modulus and shear modulus on diameter. The Poisson’s ratio was in range from 0,28 to 0,42 and from 0,27 to 0,39, respectively. Results of this research can be used for design, analysis and evaluating of nanotubes unctioning and creating new materials based on CNTs. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/20630

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Wu, Shing-Jyh, and 吳星志. "Magneto-electronic properties of Armchair Carbon Nanotube Superlattice." Thesis, 2004. http://ndltd.ncl.edu.tw/handle/58238145765583364826.

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碩士<br>國立成功大學<br>物理學系碩博士班<br>92<br>We have used the tight-binding model to calculate the energy band of the armchair (6,6) carbon nanotubes in several different kinds of collocation including one single tube, a pair of aligned tubes, and the linear superlattice. The magneto-electronic property of these combinations of armchair (6,6) has showed a tremendous dependence on the geometric structure, the magnetic flux and the Spin-B interaction (Zeeman splitting). The pair and the linear superlattice of AB stacking can promote more overlap of the conduction and valence bands, and hence make the tubes more metallic. On the other hand, though the pair of AA stacking is more metallic than only a single tube, the superlattice of the same stacking will inherently open a tiny energy gap such as a semiconductor. When considering a uniform magnetic field applied on these systems along the tube axis direction, the magnetic flux will strongly affect the band structure of each system and show a conspicuous tendency to open or enlarge energy gap and hence bring metal into semiconductor. The spin-B interaction (Zeeman splitting) has been further included into consideration and seemed to suppress the extent of metal-semiconductor transition.

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SHARMA, ANAND. "FIELD EMISSION OF ELECTRONS FROM HEMISPHERICAL CONDUCTING CARBON NANOTUBE TIP INCLUDING THE EFFECT OF IMAGE FORCE." Thesis, 2016. http://dspace.dtu.ac.in:8080/jspui/handle/repository/14632.

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ABSTRACT The present work examines the field emission from Conducting Hemispherical Carbon Nanotune (CNT) tip including the Effect of Image Force. An expression for electrostatic potential for a Hemispherical CNT tip at a distance from the centre of CNT has been derived. Using the time-independent Schrodinger equation corresponding expressions for transmission coefficient and field emission current density have been derived for the Hemispherical Conducting Carbon Nanotubes. The numerical calculations of potential, transmission coefficient and the current density function have been calculated for a typical set of carbon nanotube parameters. From the expression of potential energy we found that the potential energy for the hemispherical CNT tip first increases and then decreases with the radial distance. The transmission coefficient increases with the normalized radial energy. And the current density function also increases with the normalized Fermi energy. An important outcome of the present work is that both transmission coefficient and field emission current density function decreases as the hemispherical CNT tip radius increases.

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Lee, Chi-Hsuan, and 李啟玄. "Magnetoplasmons in a pair of armchair carbon nanotubes." Thesis, 2004. http://ndltd.ncl.edu.tw/handle/59044140125182552762.

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碩士<br>國立成功大學<br>物理學系碩博士班<br>92<br>The low-frequency magnetoelectronic excitations in a pair of　armchair carbon nanotubes are studied within the self-consistent-field　approach. The intertube Coulomb interactions would induce　the coherent and incoherent plasmon modes. Their existence, intensity,　frequency, and group velocity are investigated in detail. They are　dominated by the transferred momentum,the intertube distance; the magnitude and the direction of the magnetic field.

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Haroz, Erik. "Enrichment and Fundamental Optical Processes of Armchair Carbon Nanotubes." Thesis, 2013. http://hdl.handle.net/1911/71962.

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The armchair variety of single-wall carbon nanotubes (SWCNTs) is the only nanotube species that behaves as a metal with no electronic band gap and massless carriers, making them ideally suited to probe fundamental questions of many-body physics of one-dimensional conductors as well as to serve in applications such as high-current power transmission cables. However, current methods of nanotube synthesis produce bulk material comprising of a mixture of nanotube lengths, diameters, wrapping angles, and electronic types due to the inability to control the growth process at the nanometer level. As a result, measurements of as-grown SWCNTs produce a superposition of electrical and optical responses from multiple SWCNT species. This thesis demonstrates production of aqueous suspensions composed almost entirely of armchair SWCNTs using a post-synthesis separation method employing density gradient ultracentrifugation (DGU) to separate different SWCNT types based on their mass density and surfactant-specific interactions. Resonant Raman spectroscopy determines the relative abundances of each nanotube species, before and after DGU, by measuring the integrated intensity of the radial breathing mode, the diameter-dependent radial vibration of the SWCNT perpendicular to its main axis, and quantifies the degree of enrichment of bulk nanotube samples to exclusively armchair tubes. Raman spectroscopy of armchair-enriched samples of the G-band mode, which is composed of longitudinal (G-) and circumferential (G+) vibrations oscillating parallel and perpendicular to the tube axis, shows that the G- peak, long-held to be an indicator for the presence of metallic SWCNTs, appears only when electronic resonance with narrow-gap semiconducting SWCNTs occurs and shows only the G+ component in spectra containing only armchair species. Finally, by combining optical absorption measurements with nanotube composition as determined earlier via Raman scattering, peak fitting of absorption spectra indicates that interband transitions of armchair SWCNTs are strongly excitonic as shown by the highly symmetric peak lineshapes, a property normally attributed to semiconductors. Such lineshapes allow classification of armchair SWCNTs as a unique hybrid class of optical nanomaterial. Combining absorption and Raman scattering measurements establishes a distinct optical signature that describes the fundamental optical processes within armchair SWCNTs and lays the foundation for future studies of many-body photophysics and electrical applications.

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Ho, Yen-Hung, and 何彥宏. "Electronic and optical properties of double-walled armchair carbon nanotubes." Thesis, 2004. http://ndltd.ncl.edu.tw/handle/09832551622050018323.

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碩士<br>國立成功大學<br>物理學系碩博士班<br>92<br>Magnetoelectronic structures of double-walled armchair carbon nanotubes are calculated according to the tight-binding model. Their features are dominated by the intertube interactions, the symmetric configurations, the magnetic flux, and the Zeeman splitting. The drastic changes of the low energy states, such as energy dispersion, wave function, and Fermi level, which also rely on the different symmetries, are caused by the intertube interactions. The magnetic flux could change linear bands into parabolic bands, destroy state degeneracy, open an energy gap, and shift Fermi level. The magnetic flux and the intertube interactions, however, compete with each other in the metallic or semiconducting behavior. The Zeeman splitting would suppress the metal-semiconductor transition while the opposite is true of the magnetic flux. The main characteristics of energy bands are directly reflected in the magneto-optical absorption spectra. The different symmetric configurations can be distinguished by the absorption peaks, and the threshold absorption frequency is not identical with the energy gap.

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Book chapters on the topic "Armchair Nanotube"

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Nagy, Katalin, and Csaba L. Nagy. "Hypergraphene from Armchair Nanotube Y Junctions." In Diamond and Related Nanostructures. Springer Netherlands, 2013. http://dx.doi.org/10.1007/978-94-007-6371-5_11.

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Mahaveer Sree Jayan, M., V. Vaithiyanathan, M. Anusuya, R. Selvamani, and N. Ramya. "Armchair Carbon Nanotube Magneto Flexo Thermo Elastic Mass Sensor with Non-Linear Vibration on an Elastic Substrate." In Materials for Sustainable Energy Storage at the Nanoscale. CRC Press, 2023. http://dx.doi.org/10.1201/9781003355755-3.

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Oh, Hyu Kjin, and Usik Lee. "Effective Structural Parameters of Armchair Carbon Nanotubes." In Key Engineering Materials. Trans Tech Publications Ltd., 2007. http://dx.doi.org/10.4028/0-87849-456-1.2199.

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Tian, Xia, and Ramesh Jasti. "Cycloparaphenylenes: The Shortest Possible Segments of Armchair Carbon Nanotubes." In Fragments of Fullerenes and Carbon Nanotubes. John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118011263.ch11.

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Belanger, Anthony P., Katharine A. Mirica, James Mack, and Lawrence T. Scott. "Hemispherical Geodesic Polyarenes: Attractive Templates for the Chemical Synthesis of Uniform-Diameter Armchair Nanotubes." In Fragments of Fullerenes and Carbon Nanotubes. John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118011263.ch9.

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Sun, Wenming, Yuxiang Bu, and Yixuan Wang. "Distinct Diameter Dependence of Redox Property for Armchair, Zigzag Single-walled, and Double-walled Carbon Nanotubes." In Challenges and Advances in Computational Chemistry and Physics. Springer Netherlands, 2014. http://dx.doi.org/10.1007/978-94-017-8848-9_2.

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Randhawa, Deep Kamal Kaur, Paramjot Singh, and Tarun. "Transport Properties of Silicene Nanotube- and Silicene Nanoribbon-Based FETs." In Research Anthology on Synthesis, Characterization, and Applications of Nanomaterials. IGI Global, 2021. http://dx.doi.org/10.4018/978-1-7998-8591-7.ch013.

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Silicene is one of the most interesting nanomaterials. In this chapter, computational studies have been done on Silicene nanotube and nanoribbon-based FETs to analyze their transport properties. The FET is designed from armchair nanoribbon and single wall nanotube. The scattering region is capped by a dielectric and a metallic layer to form a gate. The conductance versus gate bias voltage, conductance versus temperature up to 2000K, and electrode temperature versus current characteristics are calculated and plotted along with the design of the equivalent model of the structure. Extended Huckel-based calculations were used, and the analysis shows the transport properties of both structures.

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Randhawa, Deep Kamal Kaur, Paramjot Singh, and Tarun. "Transport Properties of Silicene Nanotube- and Silicene Nanoribbon-Based FETs." In Advances in Computer and Electrical Engineering. IGI Global, 2020. http://dx.doi.org/10.4018/978-1-7998-1393-4.ch010.

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Silicene is one of the most interesting nanomaterials. In this chapter, computational studies have been done on Silicene nanotube and nanoribbon-based FETs to analyze their transport properties. The FET is designed from armchair nanoribbon and single wall nanotube. The scattering region is capped by a dielectric and a metallic layer to form a gate. The conductance versus gate bias voltage, conductance versus temperature up to 2000K, and electrode temperature versus current characteristics are calculated and plotted along with the design of the equivalent model of the structure. Extended Huckel-based calculations were used, and the analysis shows the transport properties of both structures.

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László, István, Ibolya Zsoldos, and Dávid Fülep. "Self Organizing Carbon Structures." In Sustainable Nanosystems Development, Properties, and Applications. IGI Global, 2017. http://dx.doi.org/10.4018/978-1-5225-0492-4.ch002.

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Graphene is a two-dimensional building material for the zero-dimensional fullerenes and the one-dimensional nanotubes. Using mathematical constructions and identifying some atoms, these materials can be rolled up from appropriate patterns cut out from the hexagonal lattice of carbon atoms. The question arises if there is a realistic formation process behind this idealized construction. Although the first time the C60 and C70 fullerenes were produced by laser irradiated graphite, the fullerene formation theories are based on various fragments of carbon chains, and networks of pentagonal and hexagonal rings. The first successful results concerning fullerene formations in a priori molecular dynamics simulations based on a true quantum chemical potential was published twenty-one years after discovering the buckminsterfullerene. The greater application of fullerenes and nanotube faces the lack of selective growth and assembly processes. Here we review quantum chemical molecular dynamics calculations which selectively produce the buckminsterfullerene C60, the C70, the armchair and the zigzag nanotubes depending on the initial structure of patterns cut out from the graphene.

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Udomvecha, Anurak, and Teerakiat Kerdcharoen. "Theoretical Studies on Architectures of Straight Zigzag// Armchair Carbon Nanotube Junctions as Molecular Electronic Devices." In Advances in Nanodevices and Nanofabrication. Pan Stanford Publishing, 2012. http://dx.doi.org/10.1201/b14791-6.

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Conference papers on the topic "Armchair Nanotube"

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Singh, N. Bedamani, and Utpal Sarkar. "A computational study of armchair nanotube." In FUNCTIONAL MATERIALS: Proceedings of the International Workshop on Functional Materials (IWFM-2011). AIP, 2012. http://dx.doi.org/10.1063/1.4736896.

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Singh, Shilpa, Sanjeev K. Gupta, Yogesh Sonvane та P. N. Gajjar. "β-armchair antimony nanotube: Structure, stability and electronic properties". У INTERNATIONAL CONFERENCE ON NANOMATERIALS FOR ENERGY CONVERSION AND STORAGE APPLICATIONS: NECSA 2018. Author(s), 2018. http://dx.doi.org/10.1063/1.5035222.

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Nakarmi, Sushan, and Vinu U. Unnikrishnan. "Defect Induced Variabilities in Thermal Conductivity of Nano Structures." In ASME 2019 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/imece2019-11654.

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Abstract The high thermal conductivity of carbon nanotubes makes them ideal candidates for use as nano-fins for thermal management in electronics and composites. At the nanoscale, the thermal conductivity of nanotubes are found to be dependent on size, strain states, temperature, and presence of defects and vacancy. The proper understanding of the effect of these parameters are important in constructing a nanotube system with desired thermal characteristics. Here, we pay special focus on the effect of different kinds of defects and vacancies on the thermal conductivities of nanotubes. Defects and vacancies are imperfections in an otherwise hexagonal structure of nanotube. Their presence have shown to impede the thermal transport in nano-structures which is attributed to the scattering of phonons that occurs in these imperfections. The thermal conductivities of (10,10) armchair nanotube with defects and vacancies are determined using the heat bath method, a non-equilibrium molecular dynamic simulation and are compared with that of pristine carbon nano-structures. This is followed by the comparative study of phonon density of states of nanotubes with and without the defects.

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LU, S., C. D. CHO, and L. SONG. "ENERGY OF ARMCHAIR NANOTUBE USING THE MODIFIED CAUCHY-BORN RULE." In Proceedings of the 9th AEPA2008. WORLD SCIENTIFIC, 2009. http://dx.doi.org/10.1142/9789814261579_0080.

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Faizabadi, Edris, and Fatemeh Heidaripour. "Effects of the central armchair nanotube size on the conductance of carbon nanotube quantum dots." In SPIE NanoScience + Engineering, edited by Didier Pribat, Young-Hee Lee, and Manijeh Razeghi. SPIE, 2011. http://dx.doi.org/10.1117/12.892925.

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El Zanin, Anton, and Sergey Boroznin. "QUANTUM CHEMICAL MODELING OF THE SURFACE MODIFICATION OF AN “ARMCHAIR” CARBON NANOTUBE WITH COBALT OXIDE." In Mathematical modeling in materials science of electronic component. LCC MAKS Press, 2024. http://dx.doi.org/10.29003/m4277.mmmsec-2024/122-125.

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In this work quantum chemical modeling of the process of attachment of cobalt oxide Co3O4 to the surface of a carbon nanotube (CNT) of the “armchair” type in three different adsorption positions was carried out. The effect of such modification on the electronic properties of the nanostructure under consideration is investigated.

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Al-Haik, M. S., M. Y. Hussaini, and H. Garmestani. "Adhesion Energy of Single Wall Carbon Nanotube-Polyethylene Composite: Effect of Magnetic Field." In ASME 2005 International Mechanical Engineering Congress and Exposition. ASMEDC, 2005. http://dx.doi.org/10.1115/imece2005-81122.

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In this paper, we investigate the adhesion energy at the interface between single wall carbon nanotubes and polyethylene matrix with and without an external magnetic field. The carbon nanotubes are of two different chiralities — armchair (10,10), and zigzag (10,0), and the external high magnetic field is of 25 Tesla intensity. The study employs molecular dynamics simulations and concludes that the magnetic field decreases the interfacial adhesion energy although it increases the individual potential energies of the nanotubes, the polyethylene, and the composite.

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Setiadi, Agung, and Suprijadi. "Transition mechanism of Stone-Wales defect in armchair edge (5,5) carbon nanotube." In THE 5TH ASIAN PHYSICS SYMPOSIUM (APS 2012). AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4917138.

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Chandel, Surjeet Kumar, Arun Kumar, P. K. Ahluwalia, and Raman Sharma. "Structural, electronic and optical properties of armchair silicon nanotube of chirality (6,6)." In SOLID STATE PHYSICS: Proceedings of the 58th DAE Solid State Physics Symposium 2013. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4872664.

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Oh, Kyung Su, Seungho Park, Ohmyoung Kwon, Young Ki Choi, and Joon Sik Lee. "Hydrogen Transport in Single-Walled Carbon Nanotube by Molecular Dynamics Simulation." In ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference collocated with the ASME 2007 InterPACK Conference. ASMEDC, 2007. http://dx.doi.org/10.1115/ht2007-32538.

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Carbon nanotubes have been strongly considered as promising hydrogen storage materials. In this paper, hydrogen transport mechanisms in single-walled carbon nano-tubes (SWNTs) for various temperatures and chiral indices were studied using molecular dynamics simulation. The SWNT models of zigzag (10,0), chiral (10,5) and armchair (10,10) with hydrogen molecules inside were simulated at temperatures ranging from 253K to 373K. Movements of hydrogen molecules (H2) inside a SWNT were analyzed using mean-square displacements and velocity autocorrelation functions.

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