34 citations · 84 across the 4 of their papers we have counts for
6 papers · 1 filter
Single Rh adatoms stabilized on α-Fe2O3(1-102) by co-adsorbed water
Florian Kraushofer, Lena Haager, Moritz Eder +8
Oxide-supported single-atom catalysts are commonly modelled as a metal atom substituting surface cation sites in a low-index surface. Adatoms with dangling bonds will inevitably co…
Surface Reduction State Determines Stabilization and Incorporation of Rh on α-Fe2O3(1-102)
Florian Kraushofer, Nikolaus Resch, Moritz Eder +9
Iron oxides (FeOx) are among the most common support materials utilized in single atom catalysis. The support is nominally Fe2O3, but strongly reductive treatments are usually appl…
Ni modified Fe3O4(001) surface as a simple model system for understanding the Oxygen Evolution Reaction
Francesca Mirabella, Matthias Muellner, Thomas Touzalin +7
Electrochemical water splitting is an environmentally friendly technology to store renewable energy in the form of chemical fuels. Among the earth-abundant first-row transition met…
Does a pristine, unreconstructed SrTiO(001) surface exist?
Igor Sokolović, Giada Franceschi, Zhichang Wang +6
The surfaces of perovskite oxides affect their functional properties, and while a bulk-truncated (11) termination is generally assumed, its existence and stability is contr…
2D Surface Phase Diagram of a Multicomponent Perovskite Oxide: LaSrMnO(110)
Giada Franceschi, Michael Schmid, Ulrike Diebold +1
The many surface reconstructions of (110)-oriented lanthanum--strontium manganite (LaSrMnO, LSMO) were followed as a function of the oxygen chemical potential (…
IrO2 Surface Complexions Identified Through Machine Learning and Surface Investigations
Jakob Timmermann, Florian Kraushofer, Nikolaus Resch +11
A Gaussian Approximation Potential (GAP) was trained using density-functional theory data to enable a global geometry optimization of low-index rutile IrO2 facets through simulated…