离解(化学)
金红石
计算机科学
材料科学
物理化学
化学
有机化学
作者
Jonas Ø. Hansen,Peipei Huo,Umberto Martinez,Estephanía Lira,Yinying Wei,R. Streber,Erik Lægsgaard,Bjørk Hammer,Stefan Wendt,Flemming Besenbacher
标识
DOI:10.1103/physrevlett.107.136102
摘要
We have studied the interaction of ethanol with reduced TiO(2)(110)-(1 × 1) by high-resolution scanning tunneling microscopy (STM) measurements and density functional theory calculations. The STM data revealed direct evidence for the coexistence of molecularly and dissociatively adsorbed ethanol species on surface Ti sites. In addition, we found evidence for dissociation of ethanol at bridge-bonded O vacancies. The density functional theory calculations support these findings and rationalize the distinct diffusion behaviors of molecularly and dissociatively adsorbed ethanol species, as revealed in time-lapsed STM images.
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