SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 36: Poster Session III: Electronic structure of surfaces: Spectroscopy, surface states I
O 36.2: Poster
Dienstag, 2. März 2021, 10:30–12:30, P
The polar KTaO3 (001) surface: Electronic structure and CO adsorption — •Martin Setvin1,2, Michele Reticcioli3, Zhichang Wang2,4, Zdenek Jakub2, Michael Schmid2, Cesare Franchini3, and Ulrike Diebold2 — 1Cherles University, Prague, Czech Republic — 2TU Wien, Vienna, Austria — 3University of Vienna, Vienna, Austria — 4Xiamen University, Xiamen, China
Polar surfaces offer intriguing physical and chemical properties applicable in electronics or catalysis. Cleaving the KTaO3 perovskite along its polar (001) plane provides a well-defined, bulk-terminated surface with KO and TaO2 terminations [1]. As-cleaved surfaces exhibit a high concentration of in-gap states; these electrons predominantly reside at the TaO2-terminated parts of the surface. These electrons can affect surface chemistry, as is demonstrated for CO molecules. CO has two adsorption configurations on the TaO2 termination, and the CO differs in how it couples to the excess electrons. DFT calculations indicate that CO preferentially couples to electron bipolarons.
The work was supported by FWF project P32148-N36, by GACR 20-21727X and GAUK Primus/20/SCI/009.