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- W11385797 abstract "Oxidation mechanism of symmetric dimers on Si(001) surfaces has been theoretically investigated using ab initio molecular orbital calculations. It has been suggested that the adsorption of O2 molecule on Si(001) surfaces at low temperature results in the formation of an Si-O-O-Si configuration which is supposed to be a precursor state preceding a stable silicon oxide. The structure of the final stable oxidized silicon dimer has an Si-O-Si bridging configuration, which is energetically stabilized by 121.2 kcal/mol than the infinite separation of a silicon dimer and an oxygen atom. The lowest energy reaction paths of the oxidation of dimers on Si(001) surface have been obtained for both the reactions by molecular and atomic oxygen. In the oxidation by molecular oxygen, the activation energy required for the production of the above oxidized silicon dimer is large, 60.4kcal/mol. On the other hand, no activation energy is required for the oxidation by atomic oxygen." @default.
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- W11385797 date "1994-01-01" @default.
- W11385797 modified "2023-09-27" @default.
- W11385797 title "Oxidation mechanism of dimers on Si(001) surfaces" @default.
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- W11385797 doi "https://doi.org/10.1016/b978-0-444-81889-8.50042-0" @default.
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