Carbon Nanoscrolls:  A Promising Material for Hydrogen Storage

Mpourmpakis, Giannis; Tylianakis, Emmanuel; Froudakis, George E.

doi:10.1021/nl070530u

Cited by 290 publications

(233 citation statements)

References 27 publications

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“…Carbon based materials are candidates for such a purpose. Although several mechanisms of hydrogen storage through both physisorption and chemisorption have been proposed, [3][4][5][6][7] most of these efforts are far to reach the target of 6 wt% and immobilization hydrogen with binding strength of -0.2 ~ -0.4 eV/H 2 at ambient temperature and modest pressure for commercial applications specified by U.S. Department of Energy (DOE).…”

Section: Introductionmentioning

confidence: 99%

Al doped graphene: A promising material for hydrogen storage at room temperature

Ao¹,

Jiang²,

Zhang³

et al. 2009

Journal of Applied Physics

227

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Abstract:A promising material for hydrogen storage at room temperature−Al doped graphene was proposed theoretically by using density functional theory calculation. Hydrogen storage capacity of 5.13 wt% was predicted at T = 300 K and P = 0.1 Gpa with adsorption energy E b = -0.260 eV/H 2 . This is close to the target of 6 wt% and satisfies the requirement of immobilization hydrogen with E b of -0.2 ~ -0.4 eV/H 2 at ambient temperature and modest pressure for commercial applications specified by U.S. Department of Energy. It is believed that the doped Al varies the electronic structures of both C and H 2 . The bands of H 2 overlapping with those of Al and C synchronously are the underlying mechanism of hydrogen storage capacity enhancement.

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Section: Introductionmentioning

confidence: 99%

Al doped graphene: A promising material for hydrogen storage at room temperature

Ao¹,

Jiang²,

Zhang³

et al. 2009

Journal of Applied Physics

227

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“…This is in contrast to single-walled carbon nanotubes where structural constraints on the electron wavefunctions make them either metallic or semiconducting, depending on their diameter and chirality 7 . Concurrent with unique electronic properties, the appropriate layer spacing of nanoscrolls might allow for energy storage applications 8,9 . Despite fascinating properties and a handful of theoretical studies of graphene nanoscrolls [10][11][12][13][14] , only few experimental studies [15][16][17][18] are reported for rGOx nanoscrolls.…”

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confidence: 99%

Formation of nitrogen-doped graphene nanoscrolls by adsorption of magnetic γ-Fe2O3 nanoparticles

et al. 2013

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Graphene nanoscrolls are Archimedean-type spirals formed by rolling single-layer graphene sheets. Their unique structure makes them conceptually interesting and understanding their formation gives important information on the manipulation and characteristics of various carbon nanostructures. Here we report a 100% efficient process to transform nitrogen-doped reduced graphene oxide sheets into homogeneous nanoscrolls by decoration with magnetic g-Fe 2 O 3 nanoparticles. Through a large number of control experiments, magnetic characterization of the decorated nanoparticles, and ab initio calculations, we conclude that the rolling is initiated by the strong adsorption of maghemite nanoparticles at nitrogen defects in the graphene lattice and their mutual magnetic interaction. The nanoscroll formation is fully reversible and upon removal of the maghemite nanoparticles, the nanoscrolls return to open sheets. Besides supplying information on the rolling mechanism of graphene nanoscrolls, our results also provide important information on the stabilization of iron oxide nanoparticles.

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“…To date, however, no carbon host has been found to meet such stringent requirements. The feeble interaction between molecular hydrogen (H 2 ) and graphitic carbon is not likely to be sufficient for roomtemperature applications [3], yet recent work on carbon nanohorns [4,5] and nanoscrolls [6] report an appreciable enhancement of H 2 -CNM interactions solely via geometric confinement. In view of the above, the introduction of suitable dopants (particularly metals) into CNMs represents a viable way forward to enhance sorption energies.…”

mentioning

confidence: 99%

“…In view of the above, the introduction of suitable dopants (particularly metals) into CNMs represents a viable way forward to enhance sorption energies. Whereas abundant theoretical work exists to support these considerations [6,7], experiments probing H 2 binding in metal-doped CNMs are scarce. Careful experiments by Yang [8] have shown a 2% weight uptake by Li-doped nanotubes.…”

mentioning

confidence: 99%

Quantum Delocalization of Molecular Hydrogen in Alkali-Graphite Intercalates

et al. 2008

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The adsorption of molecular hydrogen (H 2 ) in the graphite intercalation compound KC 24 is studied both experimentally and theoretically. High-resolution inelastic neutron data show spectral features consistent with a strong pinning of H 2 along a single axis. First-principles calculations provide novel insight into the nature of H 2 binding in intercalates but fail to account for the symmetry of the H 2 orientational potential deduced from experiment. The above discrepancy disappears once the H 2 center of mass is allowed to delocalize in the quantum-mechanical sense across three vicinal adsorption sites, naturally leading to the well-known saturation coverage of $2H 2 per metal atom in this material. Our results demonstrate that H 2 storage in metal-doped carbon substrates can be severely affected by hitherto unexplored quantummechanical effects. [12,13] and CsC 24 [14] has been investigated by inelastic neutron scattering (INS). INS features were attributed to the presence of two distinct adsorption sites. Our recent work on KC 24 ðH 2 Þ x shows no preferential site occupancy for x ¼ 1:0 and 1.5 [15,16], where x represents the amount of adsorbed H 2 . This finding strongly suggests the existence of a single adsorption site in KC 24 , making it a superb candidate for more detailed studies. The aim of this Letter is to probe the H 2 -KC 24 potential energy landscape via a detailed analysis of high-resolution INS data. The experimental results are supplemented by plane-wave densityfunctional-theory (PW-DFT) calculations so as to provide novel insight into the nature of H 2 -GIC complexes.High-purity KC 24 was synthesized from nuclear-grade Papyex [17] using a modified one-zone method with a 20 wt % stoichiometric K excess at 300 C [16]. The sample was annealed for 3 days until the appearance of a uniform blue color signaling charge transfer from the alkali to graphite, and then stored under argon. Neutron measurements were carried out under in situ H 2 loading on the IRIS [18] and TOSCA [19] spectrometers. Data were collected at 1.5 K (IRIS) and 12.5 K (TOSCA) for x ¼ 0, 0.25, 0.5, 1.0, and 2.0, as measured volumetrically during dosing. An additional over-saturation concentration of x ¼ 6:25 was measured on IRIS only. The x ¼ 0 data were used as background spectrum for subsequent subtraction.Figure 1(a) shows the dependence of the (003) Bragg reflection with x. These data were collected following the relaxation of normal-H 2 to the para ground state over a period of several hours. The intensity of the KC 24 peak at 2.90 Å diminishes with x while a second feature appears above 2.97 Å , with its peak maximum shifting steadily towards higher d-spacings up to x ¼ 2:0. Both peaks remain discrete and coexist at all explored x, indicating the PRL 101, 126101 (2008)

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Carbon Nanoscrolls: A Promising Material for Hydrogen Storage

Cited by 290 publications

References 27 publications

Al doped graphene: A promising material for hydrogen storage at room temperature

Al doped graphene: A promising material for hydrogen storage at room temperature

Formation of nitrogen-doped graphene nanoscrolls by adsorption of magnetic γ-Fe2O3 nanoparticles

Quantum Delocalization of Molecular Hydrogen in Alkali-Graphite Intercalates

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