Structure Determination of the Two-Domain (1×4) AnataseTiO2(001)Surface

Abstract

The reconstructed anatase TiO2(001) surface has been investigated by low-energy electron diffraction (LEED), x-ray photoelectron spectroscopy (XPS), and angle-resolved mass spectroscopy of recoiled ions (AR-MSRI). Prior investigations have observed or considered only a (1x1) unreconstructed termination for this surface with no detailed structural analysis. Our LEED results indicate a previously unobserved two-domain (1x4) reconstruction after sputtering and annealing the (1x1) surface. The XPS data for this reconstruction indicate the presence of only Ti4+. Simulations of the AR-MSRI experimental data indicate a best fit for a microfaceted surface, revealing both (103) and (1;03) surface planes.

Shape-controlled TiO2nanoparticles and TiO2P25 interacting with CO and H2O2molecular probes: a synergic approach for surface structure recognition and physico-chemical understanding

“…Interestingly, previous experimental studies in the literature generally agreed in assigning the 2163-2164 cm -1 band to the CO/(001) system. 19,20 However, our results suggest that at high CO coverage: -the regular (001) facets should not contribute to signals characterized by wavenumbers higher than 2134 cm -1 (ESI , Table S2c); -only CO adsorbed on reconstructed (001) surfaces [the (1x4) reconstruction is well known to occur for this type of surface 66,67 ] might contribute (at the tail) to the 2160-2150 cm -1 region.…”

Specific Facets-Dominated Anatase TiO2: Fluorine-Mediated Synthesis and Photoactivity

“…Consequently, {101} facets of anatase TiO 2 are more difficult to undergo reduction in comparison with the widely investigated {110} facets of rutile TiO 2 [1,8]. On the contrary, the anatase {001} facet is known to reconstruct under UHV conditions [9], which is usually an indication of low stability and high reactivity of the clean surface. In both {101} and {001} anatase oxygen vacancies are thought to lie beneath the surface [10,11].…”

“…5.6 and ca. 9.1%, suggesting that more extensive surface-terminated Ti-F bonds in anatase TiO 2 play a significant role in tuning the percentage of {001} facets, presumably by lowering their surface energy. Novel carbon-doped TiO 2 sheets with ca.…”

Adsorption of selected ions on the anatase TiO2(101) surface: a density-functional study

“…However, while the surfaces of rutile have been extensively investigated [53,67] due to the limited availability of sufficiently large anatase single crystals the fundamental surface properties of this polymorph are still largely unexplored. Only very recently, thanks to improved sample preparation techniques, have experimental studies of well defined anatase surfaces started to appear [68,69].…”