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- W2056859897 abstract "Abstract We report first-principles molecular dynamics calculations on the initial oxidation of hydrogen-passivated Si{0 0 1} by ozone (O 3 ). We observe an intriguing radical-mediated adsorption mechanism, archetypal of a class not reported in the literature so far. Singlet ozone abstracts one hydrogen atom to form a short-lived hydrotrioxy radical ( HO 3 ) , before dissociating into surface hydroxyl ( OH) and gas-phase O 2 . Vibrational and electronic analysis of the hydrotrioxy species confirms the genuine radical nature of the reaction intermediate." @default.
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- W2056859897 date "2008-07-01" @default.
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- W2056859897 title "Radical-mediated adsorption: Ozone oxidation of passivated silicon" @default.
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- W2056859897 doi "https://doi.org/10.1016/j.susc.2008.05.028" @default.
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