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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| 格式: | Article |
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Springer/Plenum Publishers
2021
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| 在线阅读: | http://eprints.um.edu.my/27108/ |
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