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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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Main Authors:	Dehghan, Mahmood Reza, Ahmadi, Sara, Kotena, Zahrabatoul Mosapour
格式:	Article
出版:	Springer/Plenum Publishers 2021
主题:	QD Chemistry
在线阅读:	http://eprints.um.edu.my/27108/
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