Interactions between a H<sub>2</sub> Molecule and Carbon Nanostructures: A DFT Study

Interactions between a H<sub>2</sub> Molecule and Carbon Nanostructures: A DFT Study

On a long path of finding appropriate materials to store hydrogen, graphene and carbon nanotubes have drawn a lot of attention as potential storage materials. Their advantages lie at hand since those materials provide a large surface area (which can be used for physisorption), are cheap compared to...

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Bibliographic Details
Main Authors: Dominik Gehringer, Thomas Dengg, Maxim N. Popov, David Holec
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:C
Subjects:
hydrogen storage
physisorption
density functional theory
van der waals correction
carbon nanostructures
defects
Online Access:https://www.mdpi.com/2311-5629/6/1/16

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