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Study of the hydrogen absorption behaviour of "number-sensitive" Mg atom: ultra-high hydrogen storage in MgHn (n=1-20) clusters

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The scientific aspects of hydrogen storage in a single Mg atom have been investigated by density functional theory (DFT) calculations on gas-phase MgHn (n=1-20) clusters. It was found, at least... Click to show full abstract

The scientific aspects of hydrogen storage in a single Mg atom have been investigated by density functional theory (DFT) calculations on gas-phase MgHn (n=1-20) clusters. It was found, at least...

Keywords: hydrogen storage; mghn clusters; study hydrogen

Journal Title: Journal of Materials Chemistry A
Year Published: 2023

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