Effect of strain on adsorption of hydrogen on graphene: A first-principles study

V. J. Surya; K. Iyakutti; H. Mizuseki; Y. Kawazoe

doi:10.1063/1.4709983

Effect of strain on adsorption of hydrogen on graphene: A first-principles study

V. J. Surya, K. Iyakutti, H. Mizuseki, Y. Kawazoe

New Industry Creation Hatchery Center (NICHe)

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

1 Citation (Scopus)

Abstract

From the first-principle study, it is shown that the introduction of strain in a monolayer graphene enhances its chemical reactivity and hence it becomes more reactive than the pristine one. The intermolecular interaction between graphene and molecular hydrogen increases with increase in strain in the graphene plane leading to adsorption of hydrogen with suitable binding energy. Since graphene sheets can be freely suspended without any substrate we can stretch the sheets by adjusting distance between the clamped edges of the holding frame. In this way stacks of stretched graphene sheets can be constructed and a good hydrogen storage system can be obtained.

Original language	English
Title of host publication	Solid State Physics - Proceedings of the 56th DAE Solid State Physics Symposium 2011
Pages	269-270
Number of pages	2
Volume	1447
Edition	1
DOIs	https://doi.org/10.1063/1.4709983
Publication status	Published - 2012 Dec 1
Event	56th DAE Solid State Physics Symposium 2011 - Kattankulathur, Tamilnadu, India Duration: 2011 Dec 19 → 2011 Dec 23

Other

Other	56th DAE Solid State Physics Symposium 2011
Country	India
City	Kattankulathur, Tamilnadu
Period	11/12/19 → 11/12/23

Keywords

adsorption
Graphene
hydrogen
strain

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1063/1.4709983

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Surya, VJ, Iyakutti, K, Mizuseki, H & Kawazoe, Y 2012, Effect of strain on adsorption of hydrogen on graphene: A first-principles study. in Solid State Physics - Proceedings of the 56th DAE Solid State Physics Symposium 2011. 1 edn, vol. 1447, pp. 269-270, 56th DAE Solid State Physics Symposium 2011, Kattankulathur, Tamilnadu, India, 11/12/19. https://doi.org/10.1063/1.4709983

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N2 - From the first-principle study, it is shown that the introduction of strain in a monolayer graphene enhances its chemical reactivity and hence it becomes more reactive than the pristine one. The intermolecular interaction between graphene and molecular hydrogen increases with increase in strain in the graphene plane leading to adsorption of hydrogen with suitable binding energy. Since graphene sheets can be freely suspended without any substrate we can stretch the sheets by adjusting distance between the clamped edges of the holding frame. In this way stacks of stretched graphene sheets can be constructed and a good hydrogen storage system can be obtained.

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