NO吸附在TiO2(110)表面团簇模型的理论研究。

Yang Wang, Yasunori Yanagisawa
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引用次数: 1

摘要

通过实验和理论研究了N18O在TiO2(110)表面吸附的化学吸附特性。程序升温解吸(TPD)结果表明,主要N2分子的3个解吸峰温度分别为(低)230 K、450 K和(高)980 K。这意味着N18O暴露后,在N2解吸过程中,N18O发生了分解和重组。对TiO2(110)簇模型上NO吸附表面反应的稳定组合分析和轨道理论计算表明,TiO2(110)簇模型对Ti-NO取向有明显的偏好。
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Theoretical study of NO adsorbed on the surface of TiO2(110) cluster model.
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