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• W2033678078 endingPage "8762" @default.
• W2033678078 startingPage "8755" @default.
• W2033678078 abstract "The first stages of oxidation of thin Li films (leading to the formation of ${mathrm{Li}}_{2}$O) were found to be accompanied by emission of ${mathrm{O}}^{mathrm{ensuremath{-}}}$ ions as well as electrons, reflecting the participation of electronically highly excited states in this reaction. A model is proposed and supported by the results of local-spin-density-approximation cluster calculations whereby electron transfer from the metal onto the impinging ${mathrm{O}}_{2}$ molecule leads to formation of a transient ${mathrm{O}}_{2}$ $^{2mathrm{ensuremath{-}}}$ species. This species dissociates without a noticeable activation barrier and there is a finite (but rather low) probability that one of the ${mathrm{O}}^{mathrm{ensuremath{-}}}$ fragments formed near the surface is ejected into the gas phase. The ${mathrm{O}}^{mathrm{ensuremath{-}}}$ species at the Li surface forms, on the other hand, a hole state, which subsequently transforms into the ${mathrm{O}}^{2mathrm{ensuremath{-}}}$ ground state. For excitations larger than the work function, the energy associated with its decay (>2 eV) may be released in an Auger process associated with electron emission. The yield of light emission was found to be below the detection limit of about ${10}^{mathrm{ensuremath{-}}10}$ photons per reacting ${mathrm{O}}_{2}$ molecule and indicates a short lifetime (100 fs) of the ${mathrm{O}}^{mathrm{ensuremath{-}}}$ species at a Li surface." @default.
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• W2033678078 date "1994-09-15" @default.
• W2033678078 modified "2023-09-27" @default.
• W2033678078 title "Nonadiabatic processes during the oxidation of Li layers" @default.
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• W2033678078 doi "https://doi.org/10.1103/physrevb.50.8755" @default.
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