Surface core-level-shift photo-electron diffraction was used to determine the position of oxygen vacancies on rutile TiO2(100)-(1x3). Titanium 3p photo-electrons associated with Ti atoms adjacent to oxygen vacancies were used as the diffraction source. The angle-scanning mode at fixed photon energy was employed to provide maximum surface sensitivity. By comparison with multiple-scattering calculations, the data indicate that vacancies were located in the topmost layer of a microfacet structure proposed on the basis of grazing-incidence X-ray diffraction data.

Oxygen-Vacancy Sites on TiO2(100)-(1x3) using Surface Core-Level-Shift Photoelectron Diffraction. Hardman, P.J., Prakash, N.S., Muryn, C.A., Raikar, G.N., Thomas, A.G., Prime, A.F., Thornton, G., Blake, R.J.: Physical Review B, 1993, 47[23], 16056-9