Paper
3 June 2019 Perspectives of application of 2D-matrix of graphene nanoblisters for hydrogen storage
O. E. Glukhova, M. M. Slepchenkov, P. V. Barkov
Author Affiliations +
Proceedings Volume 11066, Saratov Fall Meeting 2018: Laser Physics, Photonic Technologies, and Molecular Modeling; 110661K (2019) https://doi.org/10.1117/12.2523337
Event: International Symposium on Optics and Biophotonics VI: Saratov Fall Meeting 2018, 2018, Saratov, Russian Federation
Abstract
This paper presents the results of prognostic modeling of the process of filling graphene nanoblisters with hydrogen. To carry out numerical molecular dynamics experiments, atomistic models of graphene nanoblisters were constructed in accordance with the data of a natural experiment. A numerical estimate of the mechanical stability of blisters containing structural defects of the atomic network is given. The effect of defects on the process of filling a blister with hydrogen has been studied. It is established that in the process of filling with a blister of hydrogen, atomic hydrogen is almost completely transferred to molecular. For the constructed models of blisters, the limiting concentration of stored hydrogen was found.
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O. E. Glukhova, M. M. Slepchenkov, and P. V. Barkov "Perspectives of application of 2D-matrix of graphene nanoblisters for hydrogen storage", Proc. SPIE 11066, Saratov Fall Meeting 2018: Laser Physics, Photonic Technologies, and Molecular Modeling, 110661K (3 June 2019); https://doi.org/10.1117/12.2523337
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KEYWORDS
Graphene

Hydrogen

Chemical species

Data modeling

Switching

Crystals

Liquids

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