Abstract Acetic acid is a common pollutant for which photocatalytic degradation over titania provides a mitigating strategy. Knowledge of the bonding of acetate/acetic acid to this substrate is needed to aid interpretation of the photocatalytic data. In this work we use ambient pressure near edge X-ray absorption fine structure to measure the coverage and geometry of acetate in the TiO2(110) contact layer as well as acetic acid in an additional layer. A saturation coverage of 0.5 monolayers in both layers is found up to an acetic acid pressure of 10−1 Torr at 266 K. The geometry of acetate appears to be unchanged by adsorption of an additional layer of acetic acid, with the contact layer involving a majority acetate species bidentate bonded to neighboring Ti5c sites and a minority acetate species bonded in a perpendicular geometry. Acetic acid has a similar geometry dictated by hydrogen bonding to the contact layer as well as the substrate.

中文翻译：

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乙酸氢键与乙酸酯封端的 TiO2(110) 的取向

摘要 乙酸是一种常见的污染物，二氧化钛的光催化降解提供了一种缓解策略。需要了解醋酸盐/醋酸与该底物的键合知识，以帮助解释光催化数据。在这项工作中，我们使用边缘 X 射线吸收精细结构附近的环境压力来测量 TiO2(110) 接触层中醋酸盐以及附加层中醋酸的覆盖率和几何形状。在 266 K 的乙酸压力为 10-1 Torr 时，发现两层均具有 0.5 个单分子层的饱和覆盖。乙酸的几何形状似乎通过吸附额外的乙酸层而没有改变，接触层涉及一个大部分乙酸盐物质与相邻的 Ti5c 位点键合，少数乙酸盐物质以垂直几何形状键合。