Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study

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Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study . / Popov, Maxim N.; Dengg, Thomas; Gehringer, Dominik et al.
In: C – journal of carbon research, Vol. 6.2020, No. 2, 01.04.2020.

Research output: Contribution to journal › Article › Research › peer-review

Harvard

Popov, MN, Dengg, T, Gehringer, D & Holec, D 2020, 'Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study ', C – journal of carbon research, vol. 6.2020, no. 2. https://doi.org/10.3390/c6020020

APA

Popov, M. N., Dengg, T., Gehringer, D., & Holec, D. (2020). Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study . C – journal of carbon research, 6.2020(2). https://doi.org/10.3390/c6020020

Vancouver

Popov MN, Dengg T, Gehringer D, Holec D. Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study . C – journal of carbon research. 2020 Apr 1;6.2020(2). doi: 10.3390/c6020020

Author

Popov, Maxim N. ; Dengg, Thomas ; Gehringer, Dominik et al. / Adsorption of H2 on Penta-Octa-Penta Graphene : Grand Canonical Monte Carlo Study . In: C – journal of carbon research. 2020 ; Vol. 6.2020, No. 2.

Bibtex - Download

@article{5ee8f378a93440fe935dcc7831a55e67,
title = "Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study ",
abstract = "In this paper, we report the results of hydrogen adsorption properties of a new 2D carbon-based material, consisting of pentagons and octagons (Penta-Octa-Penta-graphene or POP-graphene), based on the Grand-Canonical Monte Carlo simulations. The new material exhibits a moderately higher gravimetric uptake at cryogenic temperatures (77 K), as compared to the regular graphene. We discuss the origin of the enhanced uptake of POP-graphene and offer a consistent explanation.",
author = "Popov, {Maxim N.} and Thomas Dengg and Dominik Gehringer and David Holec",
year = "2020",
month = apr,
day = "1",
doi = "10.3390/c6020020",
language = "English",
volume = "6.2020",
journal = "C – journal of carbon research",
issn = "2311-5629",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "2",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Adsorption of H2 on Penta-Octa-Penta Graphene

T2 - Grand Canonical Monte Carlo Study

AU - Popov, Maxim N.

AU - Dengg, Thomas

AU - Gehringer, Dominik

AU - Holec, David

PY - 2020/4/1

Y1 - 2020/4/1

N2 - In this paper, we report the results of hydrogen adsorption properties of a new 2D carbon-based material, consisting of pentagons and octagons (Penta-Octa-Penta-graphene or POP-graphene), based on the Grand-Canonical Monte Carlo simulations. The new material exhibits a moderately higher gravimetric uptake at cryogenic temperatures (77 K), as compared to the regular graphene. We discuss the origin of the enhanced uptake of POP-graphene and offer a consistent explanation.

AB - In this paper, we report the results of hydrogen adsorption properties of a new 2D carbon-based material, consisting of pentagons and octagons (Penta-Octa-Penta-graphene or POP-graphene), based on the Grand-Canonical Monte Carlo simulations. The new material exhibits a moderately higher gravimetric uptake at cryogenic temperatures (77 K), as compared to the regular graphene. We discuss the origin of the enhanced uptake of POP-graphene and offer a consistent explanation.

U2 - 10.3390/c6020020

DO - 10.3390/c6020020

M3 - Article

VL - 6.2020

JO - C – journal of carbon research

JF - C – journal of carbon research

SN - 2311-5629

IS - 2

ER -

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