Speaker
Mr
Panukorn Sombut
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Description
Identification of the local environment of a single-atom catalyst on metal oxide surfaces is crucial for understanding the reactivity and the catalytic properties. On TiO$_{2}$(110), the stability and reactivity of adsorbed adatoms is further complicated by the presence of oxygen vacancies and associated polaron charge, as both can affect the electronic structure and local geometry. In this work the adsorption of atoms are studied by density functional theory (DFT+U) and compared with our experimental results (Rh$_{1}$) and with available literatures (Au$_{1}$ and Pt$_{1}$). By investigating the most stable adsorption site, oxidation state, O vacancies and polarons our data shows that Pt and Au fill oxygen vacancies, contrary to Rh.
Author
Mr
Panukorn Sombut
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Co-authors
Ms
Lena Haager
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Ms
Marlene Atzmueller
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Dr
Zdenek Jakub
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Dr
Michele Reticcioli
(University of Vienna, Vienna, Austria)
Dr
Matthias Meier
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Prof.
Gareth S. Parkinson
(Institute of Applied Physics, TU Wien, Vienna, Austria)
Prof.
Cesare Franchini
(University of Vienna, Vienna, Austria)
