Selective Separation of Single-Walled Carbon Nanotubes in Solution

Li, Hongbo; Li, Qingwen

doi:10.5772/17612

Cited by 14 publications

(13 citation statements)

References 67 publications

(102 reference statements)

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“…This implies that all armchair tubes and also zigzag tubes with a primary index being a multiple of 3 are metallic. The theoretical origin of the band folding has been discussed in detail earlier. , Figure shows the band structure of three exemplary CNT. The Dirac point of a zigzag (12,0) CNT is located at the center of the reciprocal cell (Γ point) (see Figure a).…”

Section: Resultsmentioning

confidence: 93%

Efficient Quantum Simulations of Metals within the Γ-Point Approximation: Application to Carbon and Inorganic 1D and 2D Materials

Ghorbani‐Asl

Juarez-Mosqueda

Kuc

et al. 2012

J. Chem. Theory Comput.

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Molecular dynamics simulations using quantum mechanics for the electronic system, i.e., within the Born-Oppenheimer or related Car-Parrinello approximation, became feasible and popular in recent years for very large systems. The most common setup for these simulations is the supercell method in conjunction with the Γ-point approximation. Here we provide a tool which is useful to choose the supercell of the considered system such that it makes it appear to have either an as large as possible band gap (optimized for Car-Parrinello setup) or the metallic character reflected at the Γ point (e.g., fold the Dirac point to the Γ point for graphene and carbon nanotubes) in order to monitor the metallic character in a trajectory. We address carbon nanotubes, graphene, and inorganic TS2 analogues with T = Re, Nb. We further provide a simple Hückel code, which allows checking the electronic states close to the Fermi level within the Γ-point approximation, and we test its predictions against the density-functional-based tight-binding approach.

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Section: Resultsmentioning

confidence: 93%

Efficient Quantum Simulations of Metals within the Γ-Point Approximation: Application to Carbon and Inorganic 1D and 2D Materials

Ghorbani‐Asl

Juarez-Mosqueda

Kuc

et al. 2012

J. Chem. Theory Comput.

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“…The history of solubilization of CNTs is not long. One of the first fundamental reviews in the field of CNT dissolution and, more recently, a book and several chapters − and reviews − have been published that are devoted to particular aspects of the dispersion and stability of CNTs in liquid media. In particular, some reviews have been dedicated to strategic approaches toward the solubilization of CNTs using chemical and physical modifications, − environmental, toxicological, and pharmacological studies related to the use of CNTs, , the main methods for the modification of CNTs with polymers, , applications of functionalized CNTs, ,, in particular as biosensors, and discussions of the possibility of the existence of SWCNTs in organic solvents in the form of clusters .…”

Section: Solubilization Of Carbon Nanotubesmentioning

confidence: 99%

Solubilization and Dispersion of Carbon Allotropes in Water and Non-aqueous Solvents

Kharissova

González

Kharissov

2018

Ind. Eng. Chem. Res.

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Available methods for solubilization and dispersion of several carbon allotropes (with the exception of dispersions in polymers) in organic solvents and water are reviewed. Main attention is paid to graphite, graphene, fullerenes, nanoonions, nanodiamonds, carbon nanotubes, and carbon nanodots. The techniques to increase the "solubility" of carbon allotropes include chemical functionalization of the carbon surface (covalent and non-covalent functionalization, oxidation via ozonation, insertion of electron-withdrawing atoms (fluorination), polymer grafting, swelling and biomolecule treatments, use of molecular "wedges" for intercalation, thermal reduction, etc.). The combination of functionalization with the use of surfactants, ultrasound, laser ablation, milling, microwave expansion, hydrothermal methods, and other treatments leads to better results. The possibility of dispersion and the size of the formed particles depend on a series of factors, in particular the nature of the solvent, its viscosity and hydrogen-bond donation ability, dispersion interactions, π−π stacking between the carbon surface and reagents, and the nature of the surfactants, among others.

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“…SWCNTs are an important variety of carbon nanotubes because most of their properties change significantly with (n, m) values such as their band-gap (from zero to about 2 eV) and their electrical conductivity from metallic to semiconductor behavior. Most single-walled nanotubes have a diameter of nearly 1 nanometer, with a tube length that can be many millions of times longer, exhibiting a high length-to-diameter ratio significantly larger than other materials [ 28 ].…”

Section: Introductionmentioning

confidence: 99%

Hybrid Platforms of Silicon Nanowires and Carbon Nanotubes in an Ionic Liquid Bucky Gel

et al. 2022

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Silicon nanowires (NWs) are appealing building blocks for low-cost novel concept devices with improved performances. In this research paper, we realized a hybrid platform combining an array of vertically oriented Si NWs with different types of bucky gels, obtained from carbon nanotubes (CNT) dispersed into an ionic liquid (IL) matrix. Three types of CNT bucky gels were obtained from imidazolium-based ionic liquids (BMIM-I, BIMI-BF4, and BMIM-Tf2N) and semiconductive CNTs, whose structural and optical responses to the hybrid platforms were analyzed and compared. We investigated the electrical response of the IL-CNT/NW hybrid junctions in dark and under illumination for each platform and its correlation to the ionic liquid characteristics and charge mobility. The reported results confirm the attractiveness of such IL-CNT/NW hybrid platforms as novel light-responsive materials for photovoltaic applications. In particular, our best performing cell reported a short-circuit current density of 5.6 mA/cm2 and an open-circuit voltage of 0.53 V.

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Selective Separation of Single-Walled Carbon Nanotubes in Solution

Cited by 14 publications

References 67 publications

Efficient Quantum Simulations of Metals within the Γ-Point Approximation: Application to Carbon and Inorganic 1D and 2D Materials

Efficient Quantum Simulations of Metals within the Γ-Point Approximation: Application to Carbon and Inorganic 1D and 2D Materials

Solubilization and Dispersion of Carbon Allotropes in Water and Non-aqueous Solvents

Hybrid Platforms of Silicon Nanowires and Carbon Nanotubes in an Ionic Liquid Bucky Gel

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