Adsorption of CO on Rutile TiO2 (110)-1 × 1 Surface with Preadsorbed O Adatoms

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• 作者：Zhuo Wang ; Yan Zhao ; Xuefeng Cui ; Shijing Tan ; Aidi Zhao ; Bing Wang ; Jinlong Yang ; J. G. Hou
• 刊名：Journal of Physical Chemistry C
• 出版年：2010
• 出版时间：October 28, 2010
• 年：2010
• 卷：114
• 期：42
• 页码：18222-18227
• 全文大小：315K
• 年卷期：v.114,no.42(October 28, 2010)
• ISSN：1932-7455

文摘

We report the investigation on the adsorption behaviors of CO on the rutile TiO₂(110)-1 × 1 surface with preadsorbed O adatoms using scanning tunneling microscopy (STM) joint with density functional theory (DFT) calculations. The STM experimental results show that the diffusive CO molecules tend to adsorb at the site close to the O adatoms, forming CO−O and CO−O−CO complexes. These complexes are quite stable against the high bias voltages and UV illumination. DFT calculations give an activation energy barrier of 0.56 eV for CO oxidation through the CO−O complex to produce CO₂. Our experimental and theoretical results both indicate that the dissociative O₂, that is, the O adatoms on Ti⁴⁺, may not be directly responsible for the catalytic oxidation at low temperature.