Adsorption of H<sub>2</sub> on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study

Adsorption of H<sub>2</sub> on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study

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...

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Bibliographic Details
Main Authors: Maxim N. Popov, Thomas Dengg, Dominik Gehringer, David Holec
Format: Article
Language:English
Published: MDPI AG 2020-04-01
Series:C
Subjects:
Carbon-based materials
graphene
POP-graphene
Octa-Penta-grapnene
hydrogen storage
physical adsorption
Online Access:https://www.mdpi.com/2311-5629/6/2/20

Internet

https://www.mdpi.com/2311-5629/6/2/20

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