The reconstructed (001) anatase surface was investigated by means of low-energy electron diffraction, X-ray photoelectron spectroscopy, and angle-resolved mass spectroscopy of recoiled ions. It was noted that previous investigations had considered only a (1 x 1) unreconstructed termination for this surface, with no detailed structural analysis. The present low-energy electron diffraction results revealed a previously unobserved 2-domain (1 x 4) reconstruction after sputtering and annealing of the (1 x 1) surface. The X-ray photoelectron spectroscopic data for this reconstruction indicated the presence of only Ti4+. Simulations of the angle-resolved mass spectroscopic data indicated a best fit, for a microfaceted surface, which revealed both (103) and (¯103) surface planes.

Structure Determination of the Two-Domain (1 x 4) Anatase TiO2(001) Surface. G.S.Herman, M.R.Sievers, Y.Gao: Physical Review Letters, 2000, 84[15], 3354-7