Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/94056
Title: Initial-stage oxidation mechanism of Ge(100)2×1 dimers
Authors: Soon, J.M.
Lim, C.W.
Loh, K.P. 
Ma, N.L.
Wu, P.
Issue Date: 15-Sep-2005
Citation: Soon, J.M., Lim, C.W., Loh, K.P., Ma, N.L., Wu, P. (2005-09-15). Initial-stage oxidation mechanism of Ge(100)2×1 dimers. Physical Review B - Condensed Matter and Materials Physics 72 (11) : -. ScholarBank@NUS Repository.
Abstract: The initial stage oxygenation of the Ge(100) surfaces has been studied using density functional theory and high resolution electron energy loss spectroscopy. The sequences of the addition of dissociated O2 on the Ge-Ge bridged and backbonded sites were considered in order to correlate the energetics of the reactions predicted by first principles calculations with the surface vibrational modes observed in our experiments. Our results suggest that a one O2-per-dimer site reaction is more favorable than the dissociative chemisorption of O2 across two dimer sites. The first insertion of one O into the Ge backbond is apparently barrierless; further thermal activation allows the second O bridging the dimer site to be inserted into the second Ge backbond in the same dimer. © 2005 The American Physical Society.
Source Title: Physical Review B - Condensed Matter and Materials Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/94056
ISSN: 10980121
Appears in Collections:Staff Publications

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