The Role of Cu in Adsorption of O2 and CO Molecules on the Pt12Cu Cluster
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DOI: 10.1007/s10876-019-01609-5
Abstract: Using density functional theory method, we have studied O2 and CO molecules adsorption on the Pt13 and Pt12Cu clusters, respectively. Analysis of the adsorption energies, O–O bond length, and natural bond orbital (NBO) charge indicates… read more here.
Keywords: adsorption; adsorption molecules; molecules pt12cu; pt12cu cluster ... See more keywords