Simulations of the thermodynamics and kinetics of NH₃ at the RuO₂ (110) surface

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• 作者：Edvin Erdtman^a ; ^{edvin.erdtman@liu.se} ; Mike Andersson^b ; Anita Lloyd Spetz^b ; Lars Ojamä ; e^a
• 关键词：Catalysis ; Ruthenium dioxide ; Thermodynamics ; Kinetics ; Sensor ; Surface
• 刊名：Surface Science
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：656
• 期：Complete
• 页码：77-85
• 全文大小：1661 K
• 卷排序：656

文摘

The dehydrogenation of NH3 via a bridging O on RuO2(110) is rate-determining. We can confirm the experimental results that water vapour is formed in the sensor. OH-species are formed on the RuO2 surface which is required for the sensor response. A multiscale scheme is devised which can be used in a variety of applications.