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Influence of Flipping Si Dimers on the Dissociation Pathways of Water Molecules on Si(001)
- Yu, Sang-Yong;
- Kim, Yong-Sung;
- Kim, Hanchul;
- Koo, Ja-Yong
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14초록
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 similar to 5 at room temperature to the saturation value of similar to 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.
키워드
DENSITY-FUNCTIONAL THEORY; SURFACE; ADSORPTION; SI(100); H2O; PSEUDOPOTENTIALS; TEMPERATURE; AMMONIA; MODEL
- 제목
- Influence of Flipping Si Dimers on the Dissociation Pathways of Water Molecules on Si(001)
- 저자
- Yu, Sang-Yong; Kim, Yong-Sung; Kim, Hanchul; Koo, Ja-Yong
- 발행일
- 2011-11
- 유형
- Article
- 권
- 115
- 호
- 50
- 페이지
- 24800 ~ 24803