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- W2081453543 abstract "The interaction between a defect cluster of (MgO${)}_{3}$ and a CO molecule is studied by using the ab initio molecular-orbital method. The calculated energetics demonstrate that the attacking CO can be trapped stably in irregularities such as steps, taking the intermediate form of ${mathrm{MgCO}}_{3}$ species. It is proposed that CO oxidation is caused when a low-coordination oxygen ion is removed from the step sites." @default.
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- W2081453543 date "1987-10-15" @default.
- W2081453543 modified "2023-10-14" @default.
- W2081453543 title "Trapping and oxidation of CO at surface step sites of MgO" @default.
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- W2081453543 doi "https://doi.org/10.1103/physrevb.36.6145" @default.
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