August 30, 2021 to September 3, 2021
University of Innsbruck
Europe/Zurich timezone

【217】The polar KTaO$_3$ (001) surface: Electronic structure and CO adsorption

Aug 31, 2021, 6:00 PM
Room C

Room C

Talk Surfaces, Interfaces and Thin Films Surfaces, Interfaces and Thin Films


Martin Setvin (Charles University)


Polar surfaces offer intriguing physical and chemical properties applicable in electronics or catalysis. Cleaving the KTaO$_3$ perovskite along its polar (001) plane provides a well-defined, bulk-terminated surface with KO and TaO$_2$ terminations. As-cleaved surfaces exhibit a high concentration of in-gap states; these electrons predominantly reside at the TaO$_2$-terminated parts of the surface. These electrons can affect surface chemistry, as is demonstrated for CO molecules. CO has two adsorption configurations on the TaO$_2$ 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.

Primary author

Martin Setvin (Charles University)


Michele Reticcioli (University of Vienna) Zhichang Wang (Institute of Applied Physics, TU Wien) Zdenek Jakub (Institute of Applied Physics, TU Wien, Vienna, Austria) Michael Schmid (TU Wien) Cesare Franchini (University of Vienna) Ulrike Diebold (TU Wien)

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