Department of Chemistry, University of Zürich, CH-8057 Zürich, Switzerland.
Department of Physics, University of Zürich, CH-8057 Zürich, Switzerland.
J Phys Chem Lett. 2023 Apr 6;14(13):3132-3138. doi: 10.1021/acs.jpclett.2c03788. Epub 2023 Mar 23.
Carboxylic acids bind to titanium dioxide (TiO) dissociatively, forming surface superstructures that give rise to a (2 × 1) pattern detected by low-energy electron diffraction. Exposing this system to water, however, leads to a loss of the highly ordered surface structure. The formate-covered surface was investigated by a combination of diffraction and spectroscopy techniques, together with static and dynamic ab initio simulations, with the conclusion that a dynamic equilibrium exists between adsorbed formic acid and water molecules. This equilibrium process is an important factor for obtaining a better understanding of controlling the self-cleaning properties of TiO, because the formic acid monolayer is responsible for the amphiphilic character of the surface.
羧酸在钛二氧化物（TiO）上发生离解吸附，形成表面超结构，导致低能电子衍射检测到（2×1）图案。然而，将该系统暴露于水中会导致高度有序的表面结构丧失。通过结合衍射和光谱技术以及静态和动态从头算模拟，对甲酸盐覆盖的表面进行了研究，得出结论，吸附的甲酸和水分子之间存在动态平衡。这个平衡过程是更好地理解控制 TiO 自清洁性能的重要因素，因为甲酸单层负责表面的两亲性。
