Speaker
Ms
Magdalena Bichler
(Institute of Materials Chemistry, TU Wien )
Description
Hematite is a promising material for electrochemical water splitting with a suitable bandgap, but it shows poor electrochemical performance.
We focus on the (012) surface. At ambient pressure a bulk terminated (1x1) surface termination exists which is converted into a (2x1) reconstruction at high temperature in UHV. Experimental data confirm the reconstruction.
We calculated the surface-phase-diagram with the WIEN2k code and present a new model of the (2x1) reconstruction, which agrees with experiment and is energetically more stable than the one that has been proposed so far. Furthermore, the surfaces’ interactions with water were investigated in both experiment and theory.
Author
Ms
Magdalena Bichler
(Institute of Materials Chemistry, TU Wien )
Co-authors
Mr
Zdenek Jakub
(Institute of Applied Physics, TU Wien)
Mr
Florian Kraushofer
(Institute of Applied Physics, TU Wien)
Dr
Gareth Parkinson
(Institute of Applied Physics)
Dr
Peter Blaha
(Institute of Materials Chemistry, TU Wien )
