SiC Nanotubes:  A Novel Material for Hydrogen Storage

Mpourmpakis, Giannis; Froudakis, George E.; Lithoxoos, George P.; Samios, Jannis

doi:10.1021/nl0603911

Cited by 348 publications

(203 citation statements)

References 18 publications

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“…[1] In particular for portable applications, the use of liquid hydrogen has several disadvantages due to its continuous evaporation. Among various storage materials and methods currently under investigation, molecular hydrogen adsorption on materials of large surface area [5][6][7][8] and clathrate hydrates, [9] the use of bonded hydrogen atoms in hydrocarbons, [10] metal hydrides [11,12] or formic acid (FA) [13][14][15][16][17] show considerable promise.…”

Section: Introductionmentioning

confidence: 99%

Decomposition of Formic Acid Catalyzed by a Phosphine‐Free Ruthenium Complex in a Task‐Specific Ionic Liquid

2010

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The dehydrogenation of formic acid is effectively catalyzed by the Ru complex [{RuCl2(p‐cymene)}2] dissolved in the ionic liquid (IL) 1‐(2‐(diethylamino)ethyl)‐3‐methylimidazolium chloride at 80 °C without additional bases. This catalytic system gives TOF values of up to 1540 h−1. Preliminary kinetic insights show formal reaction orders of 0.70(±0.15), 0.78(±0.03) and 2.00(±0.17) for the Ru catalyst, IL 1, and formic acid, respectively. The apparent activation energy of this process is estimated to be (69.1±7.6) kJ mol−1. In addition, dimeric Ru hydride ionic species involved in the reaction, such as [{Ru(p‐cymene)}2{(H)μ‐(H)‐μ‐(HCO2)}]+ and [{Ru(p‐cymene)}2{(H)μ‐(Cl)μ‐(HCO2)}]+, are identified by mass spectrometry. The presence of water in large amounts inhibits higher conversions. Finally, a remarkable catalytic activity is observed during recycles, indicating this system’s potential for hydrogen gas production.

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Section: Introductionmentioning

confidence: 99%

Decomposition of Formic Acid Catalyzed by a Phosphine‐Free Ruthenium Complex in a Task‐Specific Ionic Liquid

2010

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“…In every case, we left the H 2 molecule free to relax starting from a vertical position above the center of the ring, which has been shown to be the optimal conformation in similar cases. 45 The related and all surrounding rings were also left free to relax, while the rest of the atoms were kept frozen. Aiming in the highest affordable accuracy, a different basis set was applied to these two different groups of atoms.…”

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confidence: 99%

Pillared Graphene: A New 3-D Network Nanostructure for Enhanced Hydrogen Storage

2008

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A multiscale theoretical approach was used to investigate hydrogen storage in a novel three-dimensional carbon nanostructure. This novel nanoporous material has by design tunable pore sizes and surface areas. Its interaction with hydrogen was studied thoroughly via ab initio and grand canonical Monte Carlo calculations. Our results show that, if this material is doped with lithium cations, it can store up to 41 g H 2 /L under ambient conditions, almost reaching the DOE volumetric requirement for mobile applications.Hydrogen is considered to be one of the most promising energy fuels for automobiles, and its use can be further extended to smaller portable devices, like mobile phones and laptops. It can be stored in either liquid or gas phase, provided that an efficient storage device exists. United States' Department of Energy (D.O.E.) has established requirements that have to be met by 2010, regarding the reversible storage of hydrogen according to which the required gravimetric density should be 6 wt % and the volumetric capacity should be 45 g of H 2 /L.1 By moving in that direction, the appropriate material for hosting hydrogen has to be developed.Initially, metal alloys, such as LaNi 5 , TiFe, and MgNi, were proposed as storage tanks since by chemical hydrogenation they form metal hydrides. Hydrogen can then be released by dehydrogenation of the hydride. Regarding vehicle applications, metal hydrides can be distinguished into high or low temperature materials. This depends on the temperature at which hydrogen absorption or desorption is taking place and if this is above or below 150°C, respectively. La-based and Ti-based alloys are examples of some low temperature materials with their main drawback as the very low gravimetric capacity (<2 wt %) they provide. 2,3 Controversially, high temperature materials like Mg-based alloys can reach a theoretical maximum capacity of 7.6 wt %, suffering though from poor hydrogenation/ dehydrogenation kinetics and thermodynamics. [3][4][5] In every case, metal alloys, besides the cost, are heavy for commercial production focused on mobile applications.On the other hand, light nanoporous materials can store hydrogen by physisorption that allows fast loading and unloading. However, as the interaction between H 2 and host material is dominated by weak van der Waals forces, only a small amount of H 2 can be stored at room temperature. In this case, high surface area and appropriate pore size are key parameters for achieving high hydrogen storage. Nanoporous carbon structures fulfill this criterion, placing them since the beginning among of the best candidates for hydrogen storage media. [6][7][8][9] After the synthesis of carbon nanotubes (CNTs), 10 the scientific research focused on their storage capability. Initial studies showed indeed that CNTs can be considered as a good material for reversible hydrogen storage, 11-13 but it was revealed later that under ambient conditions, pristine CNTs are not that promising.14-16 Further studies showed that doping CNTs with lithi...

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“…However, many of those efforts has been failed for reaching the gravimetric 22 densities proposed via the U.S. Department of Energies (6.5 Wt %). Apparently, the designing of a novel material and a modified of porous material significantly increases the adsorption capacities of hydrogen [28][29][30] .…”

Section: Introductionmentioning

confidence: 99%

Neutral Gases Adsorption With Hydrogen on Silicon Nanotubes: A Fuel Cell Invistegation

Chitsazan¹,

Monajjemi²,

Aghaei³

et al. 2017

Orient. J. Chem

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In the present study, adsorption of helium, neon, argon and binary mixtures of one of them with hydrogen on (5, 5) armchair silicon nanotube at Temperatures of 50, 100 and 150K and Pressures of 1, 5, 7, 10 and 15MPa were studied. For each binary mixture three different mole fractions of hydrogen were examined. Canonical Monte Carlo simulation by ab-initio calculation was employed for studding the adsorption of above gases on single-walled silicon nanotubes (SW-Si-NTs). The interaction energy of gases with the surfaces of the single Si-NTs obtained from quantum mechanics calculations was fitted to an exact potential functions used for simulating the system. Lennard-Jones potential was used for gas-gas and Morse potential was used for gas-silicon nanotubes interaction. The work was carried out at several temperatures and pressures by using Canonical-Monte-Carlo or CMC simulation in order for studding the effect of temperature and pressure on gas adsorption. The adsorption results showed that by increasing the pressure and decreasing the temperature, the amount of adsorption increases. It was concluded that among the rare gases discussed helium was lowest impact on hydrogen adsorption in a mixture of helium and hydrogen.

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SiC Nanotubes: A Novel Material for Hydrogen Storage

Cited by 348 publications

References 18 publications

Decomposition of Formic Acid Catalyzed by a Phosphine‐Free Ruthenium Complex in a Task‐Specific Ionic Liquid

Decomposition of Formic Acid Catalyzed by a Phosphine‐Free Ruthenium Complex in a Task‐Specific Ionic Liquid

Pillared Graphene: A New 3-D Network Nanostructure for Enhanced Hydrogen Storage

Neutral Gases Adsorption With Hydrogen on Silicon Nanotubes: A Fuel Cell Invistegation

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