4.8 Article

Dynamic Equilibrium at the HCOOH-Saturated TiO2(110)-Water Interface

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JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 -, 期 -, 页码 3132-3138

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AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.2c03788

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Carboxylic acids can bind to titanium dioxide (TiO2) and form surface superstructures, but exposure to water leads to loss of the ordered surface structure. Research shows that a dynamic equilibrium exists between adsorbed formic acid and water molecules on the formate-covered surface. Understanding and controlling this equilibrium process is crucial for enhancing the self-cleaning properties of TiO2.
Carboxylic acids bind to titanium dioxide (TiO2) dissociatively, forming surface superstructures that give rise to a (2 x 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 TiO2, because the formic acid monolayer is responsible for the amphiphilic character of the surface.

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