Uptake of gases in bundles of carbon nanotubes

Stan, George; Bojan, Mary J.; Curtarolo, Stefano; Gatica, Silvina M.; Cole, Milton W.

doi:10.1103/physrevb.62.2173

Cited by 249 publications

(273 citation statements)

References 43 publications

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“…As was demonstrated by the study in the previous section, the complete removal of oxygen from the surface of SWCNTs is not accomplished by annealing (Figure 4b). It seems likely that the same is true for graphene, especially considering the fact that graphene and CNTs have been used for gas sensing and adsorption due, in part, to their extremely high surface areas [26,34,35]. A comparison of the combined percentages of "Cr(0)" for functionalized graphene (39.5%) and functionalized SWCNTs (18.5%) is consistent with the lower metal catalyst residue in the graphene (ppm).…”

Section: Reaction Of Cr(co) 6 With Graphenesupporting

confidence: 55%

Catalyst Residue and Oxygen Species Inhibition of the Formation of Hexahapto-Metal Complexes of Group 6 Metals on Single-Walled Carbon Nanotubes

Wright

Barron

2017

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Abstract:The reaction of Group 6 metals with SWCNT has the potential to bridge the resistive SWCNT . . . SWCNT junctions by the formation of "Cr(SWCNT) 2 " complexes analogous to Cr(C 6 H 6 ) 2 . This study reports that the formation of such species is very sensitive to oxidation by a residual iron oxide catalyst used for the growth of the SWCNTs and adsorbed/bound oxygen functionality. The reaction of raw HiPco SWCNTs with M(CO) 6 and (C 7 H 8 )M(CO) 3 (M = Cr, W) or (C 6 H 6 )Cr(CO) 3 results in the formation of the Group 6 metal oxides. Annealing and acid treating the HiPco SWCNTs to reduce the catalyst content allows for the observation of zero valent metals by XPS, while the use of very high purity SWCNTs and graphene allows for the addition of primarily zero valent Group 6 metals, including the bis-hexahapto metal complex.

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Section: Reaction Of Cr(co) 6 With Graphenesupporting

confidence: 55%

Catalyst Residue and Oxygen Species Inhibition of the Formation of Hexahapto-Metal Complexes of Group 6 Metals on Single-Walled Carbon Nanotubes

Wright

Barron

2017

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“…Here we choose the LJ parameters as ǫ = 2.413 meV and σ = 3.4Å [20] which represent the depth and range of the LJ potential energy, respectively. Note that the LJ potential is a simple and commonly used potential for modeling the interaction between carbon nanostructures [21,22].…”

Section: The Model and Methodsmentioning

confidence: 99%

Directed motion ofC60on a graphene sheet subjected to a temperature gradient

2011

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Nonequilibrium molecular dynamics simulations is used to study the motion of a C60 molecule on a graphene sheet subjected to a temperature gradient. The C60 molecule is actuated and moves along the system while it just randomly dances along the perpendicular direction. Increasing the temperature gradient increases the directed velocity of C60. It is found that the free energy decreases as the C60 molecule moves toward the cold end. The driving mechanism based on the temperature gradient suggests the construction of nanoscale graphene-based motors.

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“…For example, theoretical calculations showed that, when He, H 2 , and Ne are adsorbed onto the channels of CNTs, all other molecules are too large to enter in these small spaces (Stan et al 2000a). The interstitial channels are accessible and the most attractive sites among all charge neutral surfaces to adsorb 4 He, H 2 , and Ne (Cole et al 2000;Kahng et al 2011;Stan et al 2000b;Weber et al 2000).…”

Section: Separation Of Gaseous Mixtures Using Cnt Bundlesmentioning

confidence: 99%

Review on carbon nanotubes and carbon nanotube bundles for gas/ion separation and water purification studied by molecular dynamics simulation

Fatemi

Foroutan

2015

Int. J. Environ. Sci. Technol.

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Water and air pollutants have huge impacts on the entire living system. In addition, the newly emerging nanopollutants, increasing global warming, and consequent climate changes are posing major threats to the freshwater or fresh air availability. This has made it urgent to invent an appropriate water/air treatment technology that removes nanopollutants and also desalinates water to a significant extent. Carbon-based nanomaterials have generated marvelous interest in a wide range of research activities due to their high adsorption capacities. Carbon nanotubes, carbon nanotube bundles, and related materials have potential applications in gas/ion separation and water purification. Recently, gas/ion separation and water purification through carbon-based nanomaterials have received increasing attention. This review summarizes the properties of carbon nanotubes and carbon nanotube bundles related to gas separation, ion separation, and water purification using molecular dynamics simulations. Membranes-based carbon nanomaterials show promise of water purification and gas separation. These attractive properties of carbon nanotubes-based and carbon nanotube bundles-based nanomaterials make them proper candidates for gas separation, gas molecular-sieving processes, and desalination purposes in nanoscale dimensions.

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Uptake of gases in bundles of carbon nanotubes

Cited by 249 publications

References 43 publications

Catalyst Residue and Oxygen Species Inhibition of the Formation of Hexahapto-Metal Complexes of Group 6 Metals on Single-Walled Carbon Nanotubes

Catalyst Residue and Oxygen Species Inhibition of the Formation of Hexahapto-Metal Complexes of Group 6 Metals on Single-Walled Carbon Nanotubes

Directed motion ofC60on a graphene sheet subjected to a temperature gradient

Review on carbon nanotubes and carbon nanotube bundles for gas/ion separation and water purification studied by molecular dynamics simulation

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