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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Adsorption and Reaction of Methanol on Stoichiometric and Defective SrTiO_3(100) Surfaces
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Adsorption and Reaction of Methanol on Stoichiometric and Defective SrTiO_3(100) Surfaces

机译：化学计量比和有缺陷的SrTiO_3（100）表面上甲醇的吸附和反应

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摘要

The adsorption and reaction of methanol (CH_3OH) on Stoichiometric (TiO_2-terminated) and reduced SrTiO_3-(100) surfaces have been investigated using temperature-programmed desorption (TPD),X-ray photoelectron spectroscopy (XPS),and first-principles density-functional calculations.Methanol adsorbs mostly nondisso-ciatively on the Stoichiometric SrTiO_3(100) surface that contains predominately Ti~(4+) cations.Desorption of a monolayer methanol from the Stoichiometric surface is observed at approx250 K,whereas desorption of a multilayer methanol is found to occur at approx140 K.Theoretical calculations predict weak adsorption of methanol on TiO_2-terminated SrTiO_3(100) surfaces,in agreement with the experimental results.However,the reduced SrTiO_3(100) surface containing Ti~(3+) cations exhibits higher reactivity toward adsorbed methanol,and H_2,CH_4,and CO are the major decomposition products.The surface defects on the reduced SrTiO_3(100) surface are partially reoxidized upon saturation exposure of CH_3OH onto this surface at 300 K.
机译：用程序升温脱附（TPD），X射线光电子能谱（XPS）和第一性原理研究了化学计量（TiO_2封端）和还原的SrTiO_3-（100）表面上甲醇（CH_3OH）的吸附和反应。功能计算。甲醇在主要包含Ti〜（4+）阳离子的化学计量的SrTiO_3（100）表面上几乎不分散地吸附。观察到单层甲醇在约250 K时从化学计量表面解吸，而多层甲醇的解吸理论计算表明，甲醇在TiO_2封端的SrTiO_3（100）表面上的吸附较弱，与实验结果一致。然而，还原后的含Ti〜（3+）阳离子的SrTiO_3（100）表面表现出对吸附的甲醇有较高的反应活性，H_2，CH_4和CO是主要的分解产物。还原的SrTiO_3（100）表面的表面缺陷在饱和时会被部分氧化。在300 K下将CH_3OH暴露在该表面上。

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