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Tunning Hydrogen Storage Properties of Carbon Ene–Yne Nanosheets through Selected Foreign Metal Functionalization

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In this study, we have employed density functional theory with a range of van der Waals corrections to study geometries, electronic structures, and hydrogen (H2) storage properties of carbon ene–yn... Click to show full abstract

In this study, we have employed density functional theory with a range of van der Waals corrections to study geometries, electronic structures, and hydrogen (H2) storage properties of carbon ene–yn...

Keywords: hydrogen storage; carbon ene; tunning hydrogen; properties carbon; storage properties

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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