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The sensing ability of Ni-doped SWCNT has been evaluated in presence of isopropanol (IPA) molecule, using density functional theory. The fundamental model for this work has been built on (7, 0) zigzag CNT (Ni-doped) with adsorbed IPA molecule on sidewall of CNT. Charge transfer from nanotube surface to molecule and high adsorption energy made the sensor more conductive after adsorption. Semiconducting...
Nanoscience and Nanotechnology suggest that many of the current problems involving energy storage and industrial effluents could be solved or greatly ameliorated using the nano-scale adsorbents, called nanoadsorbents. Innovations in the development of novel materials, such as dendrimers, zeolites, nanocomposites based on metal hydrides and carbonaceous structures like carbon nanotubes are among the...
The electronic and transport properties of carbon nanotube has been investigated in presence of ammonia gas molecule, using Density Functional Theory (DFT) based ab-initio approach. The model of CNT sensor has been build using zigzag (7, 0) CNT with a NH3 molecule adsorbed on its surface. The presence of NH3 molecule results in increase of CNT band gap. From the analysis of I-V curve, it is observed...
Microbubble (MB) technology is important for the separation and purification of micro/nanomaterials from waste water. The recovery of these materials from water is required to reduce the risk of cytotoxicity. To investigate surface interactions related to the separation of micro/nanoparticles in water, we attempted to float TiO2, SiC, multi-walled carbon nanotubes (MWCNTs), and carbon fiber (CF) using...
This chapter contains sections titled:
Introduction
Basic Properties of Carbon Nanoadsorbents
Adsorpton of Textile Dyes by Carbon Nanoadsorbents
Mechanism of Dye Adsorption onto Carbon‐Based Nanoadsorbents
Conclusion and Future Perspectives
In the present work, an in-depth study of methane adsorption on bamboo-like carbon nanotubes (BCNTs) has been accomplished. The structures of (12,0) and (5,5) BCNTs have been designed and optimized using Quantumwise Atomistix Toolkit software package. The main reason behind employing BCNTs is their unique geometry i.e. the presence of hollow compartments due to which more number of CH4 molecules get...
In this paper, we have investigated hydrogenated single-wall zigzag carbon nanotubes from (7,0) to (11,0) by using pseudopotential-based density functional theory. We found that the structure deformation of configuration follows the way preserving high symmetry as possible. One typical process that two dimer chains along the axis direction separate on CNT is presented. The configuration is more stable...
Substantial progress and breakthroughs have been achieved for nanomaterials because of their nanometer size. Carbon nanotubes (CNTs), a type of nanomaterial, have received considerable interest worldwide because of their application in clean water technologies. CNTs are seamless cylinder‐shaped macromolecules with radii in the nanometer range and lengths of up to several micrometers. Given the modifiable...
In the last 100 years, the average global temperature of the Earth has increased by 0.8°C, due to the increase in the concentration of water vapor, methane, nitrogen oxides, ozone, and carbon dioxide, mainly derived from human activities such as burning fossil fuels, deforestation, and increased usage of fertilizer. However, global awareness has turned its attention to CO2 as the principal reason...
In presented experimental study, the single-walled carbon nanotube bundles were irradiated by 60Co γ - quanta with energies 1.2 MeV in hydrogen and deuterium media at room temperature. Investigation of hydrogen sorption/desorption was carried out for irradiated and unirradiated samples in wide temperature range from 12 to 1273 K. Comparison of obtained results denotes that hydrogen adsorption capacity...
Roxarsone is an organic arsenic compound existing extensively in animal wastewater, while multiwalled carbon nanotubes (MWCNTs) is a good adsorbent for the removal of trace organic pollutants from aqueous solution. In this study, the effect of various experimental parameters, such as adsorbent content, initial pH, ionic strength and temperature was investigated using batch adsorption experiment. The...
Carbon nanotubes based sensors are gaining popularity due to their high selectivity, sensitivity, fast response and recovery time, low operating temperatures and low power consumption. However, due to a strong sp2 carbon-carbon bonding within CNTs, the interaction between defect free CNT walls and gas molecules had been expected to be relatively weak and consequently, the electronic transport properties...
A micro gas preconcentrator which has a single walled carbon nanotube (SWNT) film as a sorbent material was fabricated by MEMS technology. This work is the first to investigate the performance of SWNTs in the preconcentrator by evaluating their adsorption capacity. Octane adsorption experiments were carried out for 60 minutes on the newly fabricated preconcentrator and the concentration factor was...
We have applied extensive ab initio density functional theory coupled with non-equilibrium Green's function (DFT/NEGF) and molecular dynamics simulations to study the details of physical interactions between carbon nanotubes and amino acids in order to understand the underlying mechanisms that contribute to changes in electronic transport of carbon nanotubes in a two-terminal configuration. It was...
This paper presents photoelectrochemical properties of multi-walled carbon nanotube assembled with CdSe quantum dots. CdSe QDs are adsorbed on the surface of MWCNTs with a diameter of 4-5 nm.
In this paper, the complex of Fe4 cluster and single walled carbon nanotubes (SWCNTs) as a model system of metal cluster-SWCNT complexes is presented. Structural and mechanical properties of the Fe4 cluster adsorbing inside and outside SWCNTs with various chiralities are investigated by first-principles calculations.
Summary form only given. The influence of alkali-metal adsorption positions and defects positions on work functions of (5, 5) single-walled carbon nanotubes (CNTs) with a capped edge had been investigated by first-principles calculations. An single-walled armchair (5, 5) CNT with a capped edge was assumed. A single vacancy defect was created by removing a carbon atom from different atomic layers (which...
Study on the adsorption properties of an organic volatile contaminant on residual soil mixed with multi-walled carbon nanotube (MWNT) is presented. The soil samples were thoroughly characterized for their physical chemical properties and composition, particularly organic matter. The adsorption isotherms are well described by both Langmuir and Freundlich models. The result shows that MWNT can be good...
In order to evaluate the effects of heavy metals discharged in the use of fossil energy sources on the environment, a novel method using a microcolumn packed with single-walled carbon nanotubes (SWNTs) as a new adsorption material was developed for the preconcentration of trace Pb in environmental water sample prior to its monitoring by inductively coupled plasma mass spectrometry (ICP-MS). The adsorption...
Adsorption of as-produced and purified multiwalled carbon nanotubes (MWNTs) to heavy metal using Cu(II) as a model was investigated and characterized by many techniques. The results show that the oxygenous functional groups can be formed on MWNTs after MWNTs were purified. The oxygenous functional groups play an important role in Cu(II) adsorption to form chemical complex adsorption. The adsorption...
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