Influence of Flipping Si Dimers on the Dissociation Pathways of Water Molecules on Si(001)

The dissociative adsorption of water molecules on Si(001) was studied up to 850 K by scanning tunneling microscopy. Water molecules dissociate into OH and H fragments to form on-dimer (OD) and interdimer (ID) configurations, and the population ratio n ID/n OD is measured to change from ∼5 at room te...

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Veröffentlicht in:Journal of physical chemistry. C 2011-12, Vol.115 (50), p.24800-24803
Hauptverfasser: Yu, Sang-Yong, Kim, Yong-Sung, Kim, Hanchul, Koo, Ja-Yong
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Sprache:eng
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Zusammenfassung:The dissociative adsorption of water molecules on Si(001) was studied up to 850 K by scanning tunneling microscopy. Water molecules dissociate into OH and H fragments to form on-dimer (OD) and interdimer (ID) configurations, and the population ratio n ID/n OD is measured to change from ∼5 at room temperature to the saturation value of ∼0.6 above 500 K, contradicting to the prediction from the static transition-state theory. The sticking coefficient also shows an abnormal temperature dependence. The temperature dependence in the H dissociation and in the molecular adsorption can be elucidated only by taking into account the flip-flop motion of Si dimers.
ISSN:1932-7447
1932-7455
DOI:10.1021/jp207580v