Journal ArticleDOI
Chemisorption of hydrogen molecules on carbon nanotubes under high pressure
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The previously unexplained experimental observations of the direct hydrogenation of fullerenes under high pressure lend further support for a mechanism for the dissociative chemisorption of H2 on carbon nanotubes.Abstract:
Based on first principles calculations, we propose a mechanism for the dissociative chemisorption of H2 on carbon nanotubes. The breaking of the H—H bond is concerted with the formation of two C—H bonds on two adjacent carbon nanotubes in solid phase, facilitated by the application of high pressure which shortens the interstitial distance between nanotubes. The process is reversible upon the release of external pressure and could make an important contribution to the observed hydrogen storage capacity of carbon nanotubes. The previously unexplained experimental observations of the direct hydrogenation of fullerenes under high pressure lend further support for such a mechanism.read more
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Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems
Andrea C. Ferrari,Francesco Bonaccorso,Francesco Bonaccorso,Vladimir I. Fal'ko,Konstantin S. Novoselov,Stephan Roche,Peter Bøggild,Stefano Borini,Frank H. L. Koppens,Vincenzo Palermo,Nicola M. Pugno,Nicola M. Pugno,Nicola M. Pugno,Jose A. Garrido,Roman Sordan,Alberto Bianco,Laura Ballerini,Maurizio Prato,Elefterios Lidorikis,Jani Kivioja,Claudio Marinelli,Tapani Ryhänen,Alberto F. Morpurgo,Jonathan N. Coleman,Valeria Nicolosi,Luigi Colombo,Albert Fert,Albert Fert,Mar García-Hernández,Adrian Bachtold,Grégory F. Schneider,Francisco Guinea,Cees Dekker,Matteo Barbone,Zhipei Sun,Costas Galiotis,Alexander N. Grigorenko,Gerasimos Konstantatos,Andras Kis,Mikhail I. Katsnelson,Lieven M. K. Vandersypen,A. Loiseau,Vittorio Morandi,Daniel Neumaier,Emanuele Treossi,Vittorio Pellegrini,Vittorio Pellegrini,Marco Polini,Alessandro Tredicucci,Gareth M. Williams,Byung Hee Hong,Jong Hyun Ahn,Jong Min Kim,Herbert Zirath,Bart J. van Wees,Herre S. J. van der Zant,Luigi Occhipinti,Andrea di Matteo,Ian A. Kinloch,Thomas Seyller,Etienne Quesnel,Xinliang Feng,K.B.K. Teo,Nalin Rupesinghe,Pertti Hakonen,Simon R. T. Neil,Quentin Tannock,Tomas Löfwander,Jari M. Kinaret +68 more
TL;DR: An overview of the key aspects of graphene and related materials, ranging from fundamental research challenges to a variety of applications in a large number of sectors, highlighting the steps necessary to take GRMs from a state of raw potential to a point where they might revolutionize multiple industries are provided.
Journal ArticleDOI
Graphane: A two-dimensional hydrocarbon
TL;DR: In this paper, the stability of graphane was predicted based on first-principles total energy calculations, which is a fully saturated two-dimensional hydrocarbon derived from a single graphene sheet with formula CH.
Journal ArticleDOI
Hydrogen adsorption in different carbon nanostructures
TL;DR: In this paper, a linear relation between hydrogen uptake and specific surface area (SSA) was obtained for all samples independent of the nature of the carbon material, and the best material with a SSA of 2560m 2 /g showed a storage capacity of 4.5% at 77 K.
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Prospects for hydrogen storage in graphene
TL;DR: On-going efforts and studies on functionalized and nanostructured graphene for hydrogen storage are reviewed and possible developments for efficient storage/release of hydrogen under ambient conditions are suggested.
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Interactions between polymers and carbon nanotubes: a molecular dynamics study.
TL;DR: The results of this study suggest that polymers with a backbone containing aromatic rings are promising candidates for the noncovalent binding of carbon nanotubes into composite structures.
References
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Physisorption of Hydrogen on Microporous Carbon and Carbon Nanotubes
TL;DR: In this paper, the storage capability of microporous carbon materials for gaseous hydrogen both theoretically and experimentally was investigated, and it was shown that for low gas pressure a cylindrical geometry like that in carbon nanotubes can exceed the storage density of carbon slitpores owing to capillary forces.