Blar i Institutt for fysikk på forfatter "Ma, Li"
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Varying oxygen coverage on Cu55 and its effect on CO oxidation
Ma, Li; Akola, Jaakko (Journal article; Peer reviewed, 2019)Adsorption of molecular oxygen on a Cu55 cluster and the resulting oxidation effects have been investigated by spin-polarized density functional theory (DFT). The optimal structure for each Cu55O2N (N = 1–20) complex has ...