Catalytic Synthesis of Single-Layer Carbon Nanotubes with a Wide Range of Diameters

1994 ◽  
Vol 98 (26) ◽  
pp. 6612-6618 ◽  
Author(s):  
Ching-Hwa Kiang ◽  
William A. III Goddard ◽  
Robert Beyers ◽  
Jesse R. Salem ◽  
Donald S. Bethune
Keyword(s):  
Carbon Nanotubes ◽  
Single Layer ◽  
Catalytic Synthesis ◽  
Wide Range

Ab initio calculation on the Optical Properties of AA- Stacked two dimensional Graphene, Silicene, Germanene, and Stanene

2018 ◽  
Vol 1 (1) ◽  
pp. 46-50
Author(s):  
Rita John ◽  
Benita Merlin
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Complex Refractive Index ◽  
Single Layer ◽  
Generalized Gradient ◽  
Electronic Band ◽  
Wide Range ◽  
Optical Region

In this study, we have analyzed the electronic band structure and optical properties of AA-stacked bilayer graphene and its 2D analogues and compared the results with single layers. The calculations have been done using Density Functional Theory with Generalized Gradient Approximation as exchange correlation potential as in CASTEP. The study on electronic band structure shows the splitting of valence and conduction bands. A band gap of 0.342eV in graphene and an infinitesimally small gap in other 2D materials are generated. Similar to a single layer, AA-stacked bilayer materials also exhibit excellent optical properties throughout the optical region from infrared to ultraviolet. Optical properties are studied along both parallel (||) and perpendicular ( ) polarization directions. The complex dielectric function (ε) and the complex refractive index (N) are calculated. The calculated values of ε and N enable us to analyze optical absorption, reflectivity, conductivity, and the electron loss function. Inferences from the study of optical properties are presented. In general the optical properties are found to be enhanced compared to its corresponding single layer. The further study brings out greater inferences towards their direct application in the optical industry through a wide range of the optical spectrum.

scholarly journals A New Method for Dispersing Pristine Carbon Nanotubes Using Regularly Arranged S-Layer Proteins

Nanomaterials ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 1346
Author(s):  
Andreas Breitwieser ◽  
Uwe B. Sleytr ◽  
Dietmar Pum
Keyword(s):  
Carbon Nanotubes ◽  
Covalent Modification ◽  
Silica Layer ◽  
Medical Sciences ◽  
Lysinibacillus Sphaericus ◽  
Wide Range ◽  
Catalytic Sites ◽  
Multi Walled Carbon Nanotubes ◽  
Pristine Mwnts ◽  
Walled Carbon Nanotubes

Homogeneous and stable dispersions of functionalized carbon nanotubes (CNTs) in aqueous solutions are imperative for a wide range of applications, especially in life and medical sciences. Various covalent and non-covalent approaches were published to separate the bundles into individual tubes. In this context, this work demonstrates the non-covalent modification and dispersion of pristine multi-walled carbon nanotubes (MWNTs) using two S-layer proteins, namely, SbpA from Lysinibacillus sphaericus CCM2177 and SbsB from Geobacillus stearothermophilus PV72/p2. Both the S-layer proteins coated the MWNTs completely. Furthermore, it was shown that SbpA can form caps at the ends of MWNTs. Reassembly experiments involving a mixture of both S-layer proteins in the same solution showed that the MWNTs were primarily coated with SbsB, whereas SbpA formed self-assembled layers. The dispersibility of the pristine nanotubes coated with SbpA was determined by zeta potential measurements (−24.4 +/− 0.6 mV, pH = 7). Finally, the SbpA-coated MWNTs were silicified with tetramethoxysilane (TMOS) using a mild biogenic approach. As expected, the thickness of the silica layer could be controlled by the reaction time and was 6.3 +/− 1.25 nm after 5 min and 25.0 +/− 5.9 nm after 15 min. Since S-layer proteins have already demonstrated their capability to bind (bio)molecules in dense packing or to act as catalytic sites in biomineralization processes, the successful coating of pristine MWNTs has great potential in the development of new materials, such as biosensor architectures.

scholarly journals Bilayer ventilated labyrinthine metasurfaces with high sound absorption and tunable bandwidth

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Jiayuan Du ◽  
Yuezhou Luo ◽  
Xinyu Zhao ◽  
Xiaodong Sun ◽  
Yanan Song ◽  
...  
Keyword(s):  
Sound Absorption ◽  
Air Flow ◽  
Single Layer ◽  
Sound Waves ◽  
Acoustic Metamaterials ◽  
Sound Barrier ◽  
Free Air ◽  
Relative Bandwidth ◽  
Wide Range ◽  
High Sound

AbstractThe recent advent of acoustic metamaterials offers unprecedented opportunities for sound controlling in various occasions, whereas it remains a challenge to attain broadband high sound absorption and free air flow simultaneously. Here, we demonstrated, both theoretically and experimentally, that this problem can be overcome by using a bilayer ventilated labyrinthine metasurface. By altering the spacing between two constituent single-layer metasurfaces and adopting asymmetric losses in them, near-perfect (98.6%) absorption is achieved at resonant frequency for sound waves incident from the front. The relative bandwidth of absorption peak can be tuned in a wide range (from 12% to 80%) by adjusting the open area ratio of the structure. For sound waves from the back, the bilayer metasurface still serves as a sound barrier with low transmission. Our results present a strategy to realize high sound absorption and free air flow simultaneously, and could find applications in building acoustics and noise remediation.

scholarly journals Metal Organic Frameworks Derived Fe-N-C Nanostructures as High-Performance Electrodes for Sodium Ion Batteries and Electromagnetic Interference (EMI) Shielding

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1018
Author(s):  
Vadahanambi Sridhar ◽  
Inwon Lee ◽  
Hyun Park
Keyword(s):  
Carbon Nanotubes ◽  
Graphene Oxide ◽  
Electromagnetic Interference ◽  
Sodium Ion ◽  
Iron Nitride ◽  
Sodium Ion Batteries ◽  
Nitrogen Doped ◽  
Wide Range ◽  
Metal Organic ◽  
Nitrogen Doped Carbon

Metal organic framework (MOF)-derived carbon nanostructures (MDC) synthesized by either calcinations or carbonization or pyrolysis are emerging as attractive materials for a wide range of applications like batteries, super-capacitors, sensors, water treatment, etc. But the process of transformation of MOFs into MDCs is time-consuming, with reactions requiring inert atmospheres and reaction time typically running into hours. In this manuscript, we report the transformation of 1,4-diazabicyclo[2.2.2]octane, (DABCO)-based MOFs into iron nitride nanoparticles embedded in nitrogen-doped carbon nanotubes by simple, fast and facile microwave pyrolysis. By using graphene oxide and carbon fiber as microwave susceptible surfaces, three-dimensional nitrogen-doped carbon nanotubes vertically grown on reduced graphene oxide (MDNCNT@rGO) and carbon fibers (MDCNT@CF), respectively, were obtained, whose utility as anode material in sodium-ion batteries (MDNCNT@rGO) and for EMI (electromagnetic interference) shielding material (MDCNT@CF) is reported.

The Mechanism of Getting New Composite Polymer Materials with Improved Hardness Properties

2021 ◽  
Vol 887 ◽  
pp. 85-90
Author(s):  
L.S. Elbakyan ◽  
I.V. Zaporotskova ◽  
D.E. Vilkeeva
Keyword(s):  
Carbon Nanotubes ◽  
Polymer Material ◽  
Single Layer ◽  
Scientific Basis ◽  
Strength Properties ◽  
Polymer Materials ◽  
Mechanical Mixing ◽  
Material Component ◽  
Adsorption Interaction ◽  
The Matrix

The main aims and the objectives of the study focused on solving current problems of nanomaterial science of new materials – creating the scientific basis for competitive methods of obtaining and controlling new composite materials having improved strength properties based on carbon-containing polymer matrices with nanotubes stabilized in them. A technology for obtaining experimental samples of nanocompositional polymer material based on polymethylmethacrylate, polybutylmethacrylate, and methacrylic acid doped with carbon nanotubes has been developed, using ultrasonic action and mechanical mixing of the composite mixture to achieve the most uniform distribution of nanotubes in the matrix. To determine the possibility of implementing the mechanism of adsorption interaction of the studied polymer material with the surface of carbon nanotubes, DFT calculations of the interaction of the polymer material component and single-layer carbon nanotubes of various types have been done.

scholarly journals An investigation into the free vibrations of carbon nanotubes using analytical and finite element methods

2021 ◽  
Author(s):  
Ishan Ali Khan
Keyword(s):  
Carbon Nanotubes ◽  
Finite Element ◽  
Eigenvalue Problem ◽  
Natural Frequencies ◽  
Nonlinear Eigenvalue Problem ◽  
Dynamic Stiffness ◽  
Free Vibrations ◽  
Mode Shapes ◽  
Wide Range ◽  
Walled Cnts

Since their discovery, immense attention has been given to carbon nanotubes (CNTs), due to their exceptional thermal, electronic and mechanical properties and, therefore, the wide range of applications in which they are, or can be potentially, employed. Hence, it is important that all the properties of carbon nanotubes are studied extensively. This thesis studies the vibrational frequencies of double-walled and triple-walled CNTs, with and without an elastic medium surrounding them, by using Finite Element Method (FEM) and Dynamic Stiffness Matrix (DSM) formulations, considering them as Euler-Bernoulli beams coupled with van der Waals interaction forces. For FEM modelling, the linear eigenvalue problem is obtained using Galerkin weighted residual approach. The natural frequencies and mode shapes are derived from eigenvalues and eigenvectors, respectively. For DSM formulation of double-walled CNTs, a nonlinear eigenvalue problem is obtained by enforcing displacement and load end conditions to the exact solution of single equation achieved by combining the coupled governing equations. The natural frequencies are obtained using Wittrick-Williams algorithm. FEM formulation is also applied to both double and triple-walled CNTs modelled as nonlocal Euler-Bernoulli beam. The natural frequencies obtained for all the cases, are in agreement with the values provided in literature.

scholarly journals A One-Pot Multicomponent Catalytic Synthesis of New 1H-Pyrazole-1-Carbothioamide Derivatives with Molecular Docking Studies as COX-2 Inhibitors

2021 ◽  
Vol 11 (6) ◽  
pp. 13779-13789
Keyword(s):  
Molecular Docking ◽  
Simple Procedure ◽  
Docking Studies ◽  
Catalytic Synthesis ◽  
One Pot ◽  
Reference Drug ◽  
Molecular Docking Studies ◽  
Wide Range ◽  
Cox 2 ◽  
Cox 2 Inhibitors

A simple and efficient catalytic synthesis of new 1H-pyrazole-1-carbothioamide derivatives through a one-pot reaction of hydrazine hydrate, arylidene malononitrile and isothiocyanates in the presence of HAp/ZnCl2 nano-flakes at 60-70°C has been described. The protocol's main advantages include high yields of products, a wide range of substrates, simple procedure, and short reaction time. Molecular docking studies of the designed compounds were accomplished as COX-2 inhibitors and showed that compounds 3d, 3e, 3h, and 3n give promising results compared with celecoxib as a reference drug.

scholarly journals Prediction of Co and Ru Nanocluster Morphology on 2D MoS2 from Interaction Energies

2021 ◽  
Author(s):  
Cara-Lena Nies ◽  
Michael Nolan
Keyword(s):  
Thin Film ◽  
Density Functional ◽  
Bulk Material ◽  
Single Layer ◽  
Metal Substrate ◽  
Single Atom ◽  
Metal Interaction ◽  
Wide Range ◽  
Metal Metal ◽  
Sulphur Vacancy

Layered materials, such as \ce{MoS2}, have a wide range of potential applications due to the properties of a single layer which often differ from the bulk material. They are of particular interest as ultra-thin diffusion barriers in semi-conductor device interconnects and as supports for low dimensional metal catalysts. Understanding the interaction between metals and the \ce{MoS2} monolayer is of great importance when selecting systems for specific applications. In previous studies the focus has been largely on the strength of the interaction between a single atom or a nanoparticle of a range of metals, which has created a significant knowledge gap in understanding thin film nucleation on 2D materials. In this paper, we present a density functional theory (DFT) study of the adsorption of small Co and Ru structures, with up to four atoms, on a monolayer of \ce{MoS2}. We explore how the metal-substrate and metal-metal interactions contribute to the stability of metal clusters on \ce{MoS2}, and how these interactions change in the presence of a sulphur vacancy, to develop insight to allow prediction of thin film morphology. The strength of interaction between the metals and \ce{MoS2} is in the order Co > Ru. The competition between metal-substrate and metal-metal interaction allows us to conclude that 2D structures should be preferred for Co on \ce{MoS2}, while Ru prefers 3D structures on \ce{MoS2}. However, the presence of a sulphur vacancy decreases the metal-metal interaction, indicating that with controlled surface modification 2D Ru structures could be achieved. Based on this understanding, we propose Co on \ce{MoS2} as a suitable candidate for advanced interconnects, while Ru on \ce{MoS2} is more suited to catalysis applications.

The Multifunctional Composite on the Base of Carbon Nanotubes Network and its Use as a Passive Antenna and Gas Sensing Element

2014 ◽  
Vol 605 ◽  
pp. 322-325
Author(s):  
Robert Olejnik ◽  
Jiri Matyas ◽  
Petr Slobodian ◽  
Karel Vlcek
Keyword(s):  
Carbon Nanotubes ◽  
Gas Sensing ◽  
Aqueous Suspension ◽  
Multiwall Carbon Nanotubes ◽  
Sensing Element ◽  
Vapor Detection ◽  
Filtration Method ◽  
Wide Range ◽  
Passive Antenna ◽  
Nonpolar Organic

Carbon nanotubes in the form of entangled network can be used as a multifunctional composite material for a wide range of using. A new and perspective usage is a passive antenna and gas sensing element. The antenna works well at 1.284 GHz. The local reflection minimum is 11.48 dB. The reflection coefficient r=0.2667. The transmission power in this frequency is 93%. Multiwall carbon nanotubes (MWCNT) network Buckypaper was made by the vacuum filtration method of MWCNT aqueous suspension. The sensitivity of multi-wall carbon nanotube (MWCNT) networks of randomly entangled pure and HNO3 oxidized nanotubes to polar and nonpolar organic vapors (ethanol, heptane), has been investigated by resistance measurements. The results demonstrate that the network electrical resistance increases when exposed to organic solvent vapors, and a reversible reaction is observed when the sample is removed from the vapors. The investigated MWCNT networks could be potentially used as sensing elements for sensitive and selective organic vapor detection.

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