相图
金红石
氧气
氧化物
相(物质)
热力学
极地的
氢
化学
材料科学
物理
有机化学
天文
作者
Qiang Sun,Karsten Reuter,Matthias Scheffler
出处
期刊:Physical review
日期:2003-05-30
卷期号:67 (20)
被引量:132
标识
DOI:10.1103/physrevb.67.205424
摘要
Combining density-functional theory and thermodynamics we compute the phase diagram of surface structures of rutile ${\mathrm{RuO}}_{2}(110)$ in equilibrium with water vapor in the complete range of experimentally accessible gas phase conditions. Through the formation of hydroxyl or waterlike groups, already lowest concentrations of hydrogen in the gas phase are sufficient to stabilize an oxygen-rich polar oxide termination even at very low oxygen pressure.
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