2002年12月12日 · Defects such as oxygen vacancies play a crucial role in the surface properties of transition metal oxides. By means of time-resolved, high-resolution scanning tunneling microscopy, we unraveled an adsorbate-mediated diffusion mechanism of oxygen vacancies on rutile TiO 2 (110). Adsorbed oxygen molecules mediate vacancy diffusion through the loss of an oxygen atom to a vacancy and the ...

2024年2月22日 · The reconstruction of rutile TiO2 (110) impacts its surface chemistry and catalytic properties. Here, the authors offer a detailed understanding of the asymmetric surface reconstruction of TiO2 ...

The unreconstructed TiO2(110) surface is prepared in well-defined states having different characteristic stoichiometries, namely reduced (r-TiO2, 6 to 9% surface vacancies), hydroxylated (h-TiO2, vacancies filled with OH), oxygen covered (ox-TiO2, oxygen adatoms on a stoichiometric surface) and quasi-stoichi

Determining the atomic structures of oxide surfaces is critical for understanding their physical and chemical properties but also challenging because the breaking of atomic bonds in the formation of the surface termination can involve complex reconstructions. We used advanced transmission electron microscopy to directly observe the atomic structure of …

The structure of the rutile TiO 2 (110)- (1 × 2) reconstructed surface is a phase induced by oxygen reduction. There is ongoing debate about the (1 × 2) reconstruction, because it cannot be clarified whether the (1 × 2) structure is formed over a wide area or only locally using macroscopic analysis methods such as diffraction. We used non-contact atomic force …

2025年1月3日 · Understanding how TiO2 interacts with CO2 at the molecular level is crucial in the CO2 reduction toward value-added energy sources. Here, we report in-situ observations of the CO2 activation process on the reduced TiO2 (110) surface at room temperature using ambient pressure scanning tunneling microscopy.

A knowledge of adsorption behaviors of oxygen on the model system of the reduced rutile TiO2(110)-1×1 surface is of great importance for an atomistic understanding of many chemical processes. We present a scanning tunneling microcopy (STM) study on the adsorption of molecular oxygen either at the bridge-bonded oxygen vacancies (BBOV) or at the hydroxyls (OH) on the TiO2(110)-1×1 surface ...

2025年1月5日 · 基于同步辐射的常压X射线光电子能谱证实在环境CO₂(g)条件下，由于Vo位点的修复或CO2的物理吸附，TiO₂(110)表面氧化态发生了变化。 （2） 通过DFT理论计算，提出CO2分子驱动Vo扩散以及CO2物理吸附结构机制。

2019年8月29日 · We investigate the thermal reduction of TiO2 in ultra-high vacuum. Contrary to what is usually assumed, we observe that the maximal surface reduction occurs not during the heating, but during the ...

2015年3月17日 · 2 (110) 表面的原子结构 发生了弛豫和重构,随着原子层的增加,其相应的弛 豫距离减小。 (2) 通过对金红石型纳米 TiO 2 (110) 表面电子结构的分析,其表面能级均出现分裂,表面 态密度明显高于体相态密度,而且 (110) 表面禁带宽 减小,具有准金属性。 (3) 金红石型 TiO 2 ...