2007 年 28 巻 7 号 p. 367-371
Surface geometric structures of rutile TiO2(011) are determined by a combination of non-contact atomic force microscopy (NC-AFM), scanning tunneling microscopy (STM) and density functional calculations. Microfaceting missing-row structural models proposed instead of a previous titanyl (Ti=O) double-bond model can explain the experimental results very well. Calculated images for NC-AFM and STM are in good agreement with the experimental data. Decreasing the density of dangling bonds stabilizes the surface energy, which results in the microfaceting missingrow (n×1) reconstructions.