Adsorption behaviors of carbon monoxide (CO) over aromatic magnesium nanoclusters: a DFT study

Density functional theory calculations are used to study the interaction of uni- and di-molecular CO adsorption with the neutral aromatic magnesium nanoclusters with the centrality of beryllium, magnesium, and calcium Mg16M (M=Be, Mg, and Ca) to examine the potential of these nanomaterials to be use...

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Bibliographic Details
Main Authors: Dehghan, Mahmood Reza, Ahmadi, Sara, Kotena, Zahrabatoul Mosapour
Format: Article
Published: Springer/Plenum Publishers 2021
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Online Access:http://eprints.um.edu.my/27108/
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