Carbon nanocoils for multi-functional energy applications

Reddy, Arava Leela Mohana; Jafri, R. Imran; Jha, Neetu; Ramaprabhu, Sundara; Ajayan, Pulickel M.

doi:10.1039/c1jm12580j

Cited by 40 publications

(4 citation statements)

References 41 publications

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“…1 A wide variety of porous systems have been explored for their ability to adsorb and transport H 2 . Among them, zeolites and carbon nanotubes have been considered potential candidates for such application as they can capture large amounts of H 2 , up to 7.5 wt % 2,3 and 4.0 wt % 4,5 at 77 K, respectively, and they have low regeneration costs. The corresponding adsorption enthalpy of H 2 in these solids is estimated to be about 5-7 kJ mol -1 at 77 K. 3,5,6 Further, the diffusivity of H 2 , which was measured mainly by quasi-elastic neutron scattering (QENS) and simulated by molecular dynamics (MD) calculations, is usually ranged from 10 -10 to 10 -8 m 2 s -1 and from 10 -7 to 10 -4 m 2 s -1 in zeolites and carbon nanotubes, respectively.…”

Section: Introductionmentioning

confidence: 99%

Adsorption and Diffusion of H₂ in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

et al. 2009

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Quasi-elastic neutron scattering measurements are combined with molecular dynamics simulations to determine the self-diffusivity (Ds) profile of hydrogen in the metal organic framework materials MIL-47(V) and MIL-53(Cr) (MIL, Materials Institut Lavoisier) as a function of loading. Experimentally, a sudden increase in Ds for H 2 at low loading (e1 H 2 /unit cell) was observed with values at least two orders of magnitude higher than in zeolites. This unusual behavior has been denoted as "super-mobility". Here, two different force fields available in the literature to represent the H 2 /H 2 and H 2 /MOF framework interactions have been considered to capture such experimental findings via molecular dynamics simulations. We have shown that (i) a similar magnitude of the energetic contribution for the H 2 /H 2 and H 2 /MOF framework interactions and (ii) a smoothness of the potential energy surfaces are required in order to match the supermobility of H 2 at low loading. The diffusion mechanism at the microscopic scale was successfully simulated in both materials and described in terms of the chemical features of the MIL framework, i.e., the presence or absence of the µ 2 hydroxyl group. It appears that a one-dimensional (1D) diffusion along the z axis and purely random three-dimensional (3D) diffusion processes are observed for MIL-53(Cr) and MIL-47(V), respectively. The adsorption properties were then simulated using the different force fields initially fitted to the diffusion results and compared to manometry measurements. Finally, the comparison of diffusion and adsorption results for the different force fields leads us to choose the best compromise to describe both dynamic and thermodynamic properties.

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Section: Introductionmentioning

confidence: 99%

Adsorption and Diffusion of H₂ in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

et al. 2009

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“…I am currently paying attention to the application of CNC to energy devices such as fuel cells [26][27][28][29][30][31][32] and electric double layer capacitors [33][34][35][36][37]. In this field, although carbon black and activated carbon, whose mass-production processes have been established, are used as a major carbon material, the applications of carbon nanomaterials including CNCs are progressing little by little.…”

Section: Expected Applicationsmentioning

confidence: 99%

Chemical Vapor Deposition of Helical Carbon Nanofibers

Suda¹

2019

Chemical Vapor Deposition for Nanotechnology

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Helical carbon nanofibers (HCNFs), including carbon nanocoils (CNCs), carbon nanotwists, and multi-walled CNCs, can be synthesized by chemical vapor deposition (CVD). HCNFs are predicted to have a high mechanical strength and hence are expected to have a use in nanodevices such as electromagnetic wave absorbers and sensors. For nanodevice applications, it is necessary to synthesize HCNFs in high yield and purity. In this chapter, I focus on CNCs and describe its history, expected application, and synthesis method. Finally, I introduce the author's recent studies on the improvement of the purity of CNCs by improving CVD conditions. A CNC layer with a thickness of larger than 40 μm was grown from a triple layer of SnO 2 /Fe 2 O 3 /SnO 2 catalyst on a substrate, and the CNC purity increased to 81 ± 2%.

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“…Hydrogen storage in solid‐state materials is more promisable and safe when compared to the conventional storage methods. Among several hydrogen storage materials 1–27 with high surface area, high porosity, and chemical stability, carbon nanotubes (CNTs) 12–24 are considered as the possible candidates for hydrogen storage. The single walled carbon nanotubes (SWCNTs) functionalized with foreign atoms/molecules are more promising than the pristine one 13–23.…”

Section: Introductionmentioning

confidence: 99%

Single walled carbon nanotubes functionalized with hydrides as potential hydrogen storage media: A survey of intermolecular interactions

Surya¹,

Iyakutti²,

Venkataramanan³

et al. 2011

Physica Status Solidi (b)

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In this paper, we have analyzed the intermolecular interactions between H2 and single walled carbon nanotube (SWCNT)–hydride complexes and project their capability as a practicable hydrogen storage medium (HSM). In this respect, we have investigated the type of interactions namely van der Waals, electrostatic, and orbital interactions to understand the molecular hydrogen binding affinity of various systems. We found that the charge transfer effects coupled with induced electrostatic interactions are responsible for synergetic action of SWCNT and hydrides on adsorption of H2 molecules at ambient conditions. Also we have calculated the thermodynamically usable capacity of hydrogen in all the systems. This study enables one to identify and design potential hydrogen storage materials.

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Carbon nanocoils for multi-functional energy applications

Cited by 40 publications

References 41 publications

Adsorption and Diffusion of H₂ in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Adsorption and Diffusion of H₂ in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Chemical Vapor Deposition of Helical Carbon Nanofibers

Single walled carbon nanotubes functionalized with hydrides as potential hydrogen storage media: A survey of intermolecular interactions

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Carbon nanocoils for multi-functional energy applications

Cited by 40 publications

References 41 publications

Adsorption and Diffusion of H2 in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Adsorption and Diffusion of H2 in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Chemical Vapor Deposition of Helical Carbon Nanofibers

Single walled carbon nanotubes functionalized with hydrides as potential hydrogen storage media: A survey of intermolecular interactions

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Product

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Adsorption and Diffusion of H₂ in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Adsorption and Diffusion of H₂ in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations