2014/03/26 by Martin Setvín, Martin Setvin, Xianfeng Hao +10
Chemistry · Energy · Materials Science · Physics and Astronomy · #Adsorption #Advanced Photocatalysis Techniques #Anatase #Catalysis #Catalytic Processes in Materials Science #Chemical physics #Chemistry #Computational chemistry #Crystallography #Density functional theory #Electron #Electron microscope #Electronic and Structural Properties of Oxides #Materials science #Nanotechnology #Nuclear magnetic resonance #Optics #Photocatalysis #Photoemission electron microscopy #Photoemission spectroscopy #Physical chemistry #Physics #Scanning tunneling microscope #Trapping #X-ray photoelectron spectroscopy #cond-mat.mtrl-sci
paper · pdf · doi:10.1002/anie.201309796
published as Angew. Chem. Intl. Ed. 53, 4714 (2014)
openalex publication_date 2014/03/26 · openalex created_date 2016/06/24 · arxiv created 2018/04/20 · arxiv updated 2018/04/23 · openalex updated_date 2026/08/05
A combination of photoemission, atomic force, and scanning tunneling microscopy/spectroscopy measurements shows that excess electrons in the TiO2 anatase (101) surface are trapped at step edges. Consequently, steps act as preferred adsorption sites for O2 . In density functional theory calculations electrons localize at clean step edges, this tendency is enhanced by O vacancies and hydroxylation. The results show the importance of defects for the wide-ranging applications of titania.