Structure and stability of deformed partially hydrogenated carbon nanotubes

2021 ◽  
pp. 2150399
Author(s):  
Elizaveta M. Mochalova ◽  
Alexandra A. Kachina
Keyword(s):  
Carbon Nanotubes ◽  
Specific Energy ◽  
Axial Strain ◽  
Interface Energy ◽  
Applied Strain ◽  
Axial Deformation ◽  
Structure And Stability ◽  
Hydrogen Migration ◽  
Temperature Range ◽  
The Stability

In this paper, we study the effect of the axial deformation of carbon nanotubes in the zigzag and armchair directions on the stability of the interface between hydrogenated and non-hydrogenated regions. We analyze the specific energy of this interface as a function of the axial strain. We found that the clear interface can be obtained at a wider temperature range due to tube stretching. The energy barriers characterizing the process of hydrogen migration from the hydrogenated region of the nanotube to the pristine tube are calculated. It is concluded that the tube deformation significantly affects the stability of the system. For some tubes applied strain can qualitatively change the regularity of hydrogenation, changing the sign of the interface energy.

Mechanical Properties of Single-Walled Carbon Nanotubes under Large Axial Deformation

2010 ◽  
Vol 97-101 ◽  
pp. 3910-3915
Author(s):  
Kun Cai
Keyword(s):  
Carbon Nanotubes ◽  
Axial Strain ◽  
Single Walled Carbon Nanotubes ◽  
Mapping Method ◽  
Axial Deformation ◽  
Engineering Strain ◽  
Single Walled Carbon ◽  
Graphitic Sheet ◽  
Zigzag Pattern ◽  
Walled Carbon Nanotubes

The deformation of single-walled carbon nanotubes (SWCNTs) under large axial strain is studied by a geometrical mapping method. The interactions between atoms in carbon nanotubes (CNTs) are described by Tersoff-Brenner potential. Results show the strain energy depends on chirality but hardly on tubes’ radii. For graphitic sheet under large axial deformation, the elastic moduli decrease with the increase of engineering strain under tension. The modulus reaches the peak value as the axial engineering strain reaches -0.08 for armchair pattern and -0.15 for zigzag pattern under compression.

Two-Dimensional Strain-Distribution Sensor Using Carbon Nanotube-Dispersed Resin

2011 ◽  
Author(s):  
Yusuke Suzuki ◽  
Yusuke Ohashi ◽  
Masato Ohnishi ◽  
Ken Suzuki ◽  
Hideo Miura
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional ◽  
Axial Strain ◽  
Electronic Conductivity ◽  
Applied Strain ◽  
Sensitive Strain ◽  
Two Dimensional ◽  
Electric Resistance ◽  
Highly Sensitive ◽  
Walled Carbon Nanotubes

A new highly sensitive strain measurement method has been developed by applying the change of the electronic conductivity of CNTs. It is reported that most multi-walled carbon nanotubes (MWCNTs) show metallic conductivity and they are rather cheap comparing with single-walled carbon nanotubes (SWCNTs). The effect of the longitudinal axial strain on the band structures of electrons in CNTs was analyzed by applying the abinitio calculation based on the density functional theory. The change of the band structure of a MWCNT under uni-axial strain was analyzed. It was found that the electric conductivity of (MWCNTs) changes drastically because of the large change of their band gap. Therefore, the authors have focused on the possibility of the application of MWCNTs to a highly sensitive strain sensor. Multi-walled CNTs were dispersed in various kinds of resins such as epoxy, polycarbonate, and polyisoprene to form a thin film which can be easily attached to rounded surfaces. The length and diameter of the CNTs were about 5 μm and 50 nm, respectively. One of the base materials of resin employed was polycarbonate and the volumetric concentration of CNT dispersed was about 11.5%. The thickness of the film was about 500 μm. Uni-axial strain was applied to the CNT-dispersed resin by applying a 4 point bending method, and the change of the electric resistance was measured. The range of the applied strain was from −0.025% to 0.025%. The electric resistance changed almost linearly with the applied strain. The ratio of the resistance change under the tensile strain was about 400%/%strain and that under the compressive strain was about 150%/%strain. The CNTs were also dispersed in polyisoprene by about 5%. Uni-axial tesile strain was also applied to the CNT-dispersed rubber. The maximum strain was 240%. It was found that the resistance of the rubber increased monotonically with the increase of the amplitude of the applied strain. The increase rate also increased with the amplitude of the applied strain, and the maximum rate reached about 25%/%strain. Two-dimensional strain fields were evaluated by using finely area-arrayed CNT-dispersed resin made by MEMS technology with spatial resolution of 50 μm.

scholarly journals Effect of Size of Multiwalled Carbon Nanotubes Dispersed in Gear Oils for Improvement of Tribological Properties

2018 ◽  
Vol 2018 ◽  
pp. 1-13 ◽  
Author(s):  
Kodanda Rama Rao Chebattina ◽  
V. Srinivas ◽  
N. Mohan Rao
Keyword(s):  
Carbon Nanotubes ◽  
Raman Spectroscopy ◽  
Ball Milling ◽  
Multiwalled Carbon Nanotubes ◽  
Tribological Properties ◽  
Extreme Pressure ◽  
Multiwalled Carbon ◽  
Pristine Mwcnts ◽  
Gear Oil ◽  
The Stability

The aim of the paper is to investigate the effect of size of multiwalled carbon nanotubes (MWCNTs) as additives for dispersion in gear oil to improve the tribological properties. Since long pristine MWCNTs tend to form clusters compromising dispersion stability, they are mildly processed in a ball mill to shorten the length and stabilized with a surfactant before dispersing in lubricant. Investigations are made to assess the effect of ball milling on the size and structure of MWCNTs using electron microscopy and Raman spectroscopy. The long and shortened MWCNTs are dispersed in EP 140 gear oil in 0.5% weight. The stability of the dispersed multiwalled carbon nanotubes is evaluated using light scattering techniques. The antiwear, antifriction, and extreme pressure properties of test oils are evaluated on a four-ball wear tester. It is found that ball milling of MWCNTs has a strong effect on the stability and tribological properties of the lubricant. From Raman spectroscopy, it is found that ball milling time of up to 10 hours did not produce any defects on the surface of MWCNTs. The stability of the lubricant and the antiwear, antifriction, and extreme pressure properties have improved significantly with dispersion shortened MWCNTs. Ball milling for longer periods produces defects on the surface of MWCNTs reducing their advantage as oil additives.

scholarly journals Dispersion of Carbon Nanotubes with “Green” Detergents

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2908
Author(s):  
Kazuo Umemura ◽  
Ryo Hamano ◽  
Hiroaki Komatsu ◽  
Takashi Ikuno ◽  
Eko Siswoyo
Keyword(s):  
Carbon Nanotubes ◽  
Sodium Dodecyl ◽  
Detergent Solution ◽  
Absorbance Spectroscopy ◽  
Fundamental Research ◽  
The Stability ◽  
Single Walled Cnts ◽  
Better Than ◽  
Walled Cnts ◽  
Cnt Suspensions

Solubilization of carbon nanotubes (CNTs) is a fundamental technique for the use of CNTs and their conjugates as nanodevices and nanobiodevices. In this work, we demonstrate the preparation of CNT suspensions with “green” detergents made from coconuts and bamboo as fundamental research in CNT nanotechnology. Single-walled CNTs (SWNTs) with a few carboxylic acid groups (3–5%) and pristine multi-walled CNTs (MWNTs) were mixed in each detergent solution and sonicated with a bath-type sonicator. The prepared suspensions were characterized using absorbance spectroscopy, scanning electron microscopy, and Raman spectroscopy. Among the eight combinations of CNTs and detergents (two types of CNTs and four detergents, including sodium dodecyl sulfate (SDS) as the standard), SWNTs/MWNTs were well dispersed in all combinations except the combination of the MWNTs and the bamboo detergent. The stability of the suspensions prepared with coconut detergents was better than that prepared with SDS. Because the efficiency of the bamboo detergents against the MWNTs differed significantly from that against the SWNTs, the natural detergent might be useful for separating CNTs. Our results revealed that the use of the “green” detergents had the advantage of dispersing CNTs as well as SDS.

scholarly journals sp2 Carbon Stable Radicals

2021 ◽  
Vol 7 (2) ◽  
pp. 31
Author(s):  
Elena F. Sheka
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Black ◽  
Intermolecular Interaction ◽  
Open Shell ◽  
Size And Shape ◽  
Spatially Extended ◽  
Stable Radicals ◽  
The Stability ◽  
Shungite Carbon ◽  
Technological Products

sp2 Nanocarbons such as fullerenes, carbon nanotubes, and graphene molecules are not only open-shell species, but spatially extended, due to which their chemistry is quite specific. Cogently revealed dependence of the final products composition on size and shape of the carbons in use as well as on the chemical prehistory is accumulated in a particular property—the stabilization of the species’ radical efficiency, thus providing the matter of stable radicals. If the feature is highly restricted and rarely available in ordinary chemistry, in the case of sp2 nanocarbons it is just an ordinary event providing, say, tons-in-mass stable radicals when either producing such widely used technological products as carbon black or dealing with deposits of natural sp2 carbons such as anthracite, shungite carbon, and other. Suggested in the paper is the consideration of stable radicals of sp2 nanocarbons from the standpoint of spin-delocalized topochemistry. Characterized in terms of the total and atomically partitioned number of effectively unpaired electrons as well as of the distribution of the latter over carbon atoms and described by selectively determined barriers of different reactions exhibiting topological essence of intermolecular interaction, sp2 nanocarbons reveal a peculiar topokinetics that lays the foundation of the stability of their radical properties.

scholarly journals Stabilizing effect of methylcellulose on the dispersion of multi-walled carbon nanotubes in cementitious composites

2020 ◽  
Vol 9 (1) ◽  
pp. 93-104
Author(s):  
Mingrui Du ◽  
Yuan Gao ◽  
Guansheng Han ◽  
Luan Li ◽  
Hongwen Jing
Keyword(s):  
Carbon Nanotubes ◽  
Pore Solution ◽  
Cementitious Materials ◽  
High Ionic Strength ◽  
Cementitious Composites ◽  
Uniform Distributions ◽  
Stabilizing Effect ◽  
Multi Walled Carbon Nanotubes ◽  
The Stability ◽  
Walled Carbon Nanotubes

AbstractMulti-walled carbon nanotubes (MWCNTs) have been added in the plain cementitious materials to manufacture composites with the higher mechanical properties and smart behavior. The uniform distributions of MWCNTs is critical to obtain the desired enhancing effect, which, however, is challenged by the high ionic strength of the cement pore solution. Here, the effects of methylcellulose (MC) on stabilizing the dispersion of MWCNTs in the simulated cement pore solution and the viscosity of MWCNT suspensions werestudied. Further observations on the distributions of MWCNTs in the ternary cementitious composites were conducted. The results showed that MC forms a membranous envelope surrounding MWCNTs, which inhibits the adsorption of cations and maintains the steric repulsion between MWCNTs; thus, the stability of MWCNT dispersion in cement-based composites is improved. MC can also work as a viscosity adjuster that retards the Brownian mobility of MWCNTs, reducing their re-agglomerate within a period. MC with an addition ratio of 0.018 wt.% is suggested to achieve the optimum dispersion stabilizing effect. The findings here provide a way for stabilizing the other dispersed nano-additives in the cementitious composites.

scholarly journals Sorption and Desorption Analysis of Nitrobenzene on Differently Functionalized Multiwalled Carbon Nanotubes and Implications on the Stability

Water ◽  
2021 ◽  
Vol 13 (10) ◽  
pp. 1426
Author(s):  
Zhanhua Ji ◽  
Dengyu Li
Keyword(s):  
Carbon Nanotubes ◽  
Underlying Mechanism ◽  
Multiwalled Carbon ◽  
Environmental Behaviors ◽  
Initial Concentration ◽  
Sorption Hysteresis ◽  
Key Factor ◽  
Functionalized Multiwalled Carbon Nanotubes ◽  
The Stability ◽  
Adsorption Desorption

The stability of carbon nanotubes (CNTs) suspension is a key factor in determining their transport, fate, and toxicity in an aquatic environment, which is significantly influenced by CNTs’ nature and water chemistry. Macromolecular dissolved organic matter (DOM) is reported to influence the stability of CNTs aggregation. However, little is known on small polar dissolved organic compound’s effects on CNTs aggregation. Nitrobenzene was selected to investigate its interaction with three different functionalized multiwalled CNTs (MWCNTs). Both the stability of CNTs aggregation and sorption hysteresis were affected by the initial concentration of nitrobenzene and the surface functionalization coverage of MWCNTs. At the initial concentration below 580 mg/L, the thermodynamic index of irreversibility (TII) and turbidity of CNTs suspension had the same tendency, indicating that the underlying mechanism is closely related. A conceptual adsorption–desorption model was proposed to further explain the relationship between the sorption hysteresis and stability of MWCNTs suspension under different initial concentrations of nitrobenzene. This provided data support to further clarify the environmental behaviors and risks of CNTs.

scholarly journals Effect of Cobalt Catalyst Confinement in Carbon Nanotubes Support on Fischer-Tropsch Synthesis Performance

Symmetry ◽  
2018 ◽  
Vol 10 (11) ◽  
pp. 572 ◽  
Author(s):  
Omid Akbarzadeh ◽  
Noor Mohd Zabidi ◽  
Yasmin Abdul Wahab ◽  
Nor Hamizi ◽  
Zaira Chowdhury ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Fixed Bed ◽  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Cobalt Oxide Nanoparticles ◽  
Co Conversion ◽  
Multi Walled Carbon Nanotubes ◽  
Pre Treatment ◽  
The Stability

Pre-treating the multi-walled carbon nanotubes (CNTs) support by refluxing in 35 vol% nitric acid followed by heating at the temperature of 600 to 900 °C resulted in the formation of defects on the CNTs. Increasing the temperature of the pre-treatment of the CNTs from 600 °C to 900 °C, enhanced the fraction of cobalt-oxide nanoparticles encapsulated in the channels of CNTs from 31% to 70%. The performance of Co/CNTs in Fischer-Tropsch synthesis (FTS) was evaluated in a fixed-bed micro-reactor at a temperature of 240 °C and a pressure of 2.0 MPa. The highest CO conversion obtained over Co/CNTs.A.900 was 59% and it dropped by ~3% after 130 h of time-on-stream. However, maximum CO conversion using Co/CNTs.A.600 catalysts was 28% and it decreased rapidly by about 54% after 130 h of time-on-stream. These findings show that the combined acid and thermal pre-treatment of CNTs support at 900 °C has improved the stability and activity of the Co/CNTs catalyst in FTS.

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