348 citations · 1k across the 30 of their papers we have counts for
6 papers · 2 filters
CO oxidation by Pt2/Fe3O4: metastable dimer and support configurations facilitate lattice oxygen extraction
Matthias Meier, Jan Hulva, Zdenek Jakub +8
Heterogeneous catalysts based on sub-nanometer metal clusters often exhibit strongly size-dependent properties, and the addition or removal of a single atom can make all the differ…
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…
Rapid oxygen exchange between hematite and water vapor
Zdenek Jakub, Matthias Meier, Florian Kraushofer +6
Oxygen exchange at oxide/liquid and oxide/gas interfaces is important in technology and environmental studies, as it is closely linked to both catalytic activity and material degra…
Automated Real-Space Lattice Extraction for Atomic Force Microscopy Images
Marco Corrias, Lorenzo Papa, Igor Sokolović +7
Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amo…
Competing electronic states emerging on polar surfaces
Michele Reticcioli, Zhichang Wang, Michael Schmid +5
Excess charge on polar surfaces of ionic compounds is commonly described by the two-dimensional electron gas (2DEG) model, a homogeneous distribution of charge, spatially-confined…
Machine Learning for Exploring Small Polaron Configurational Space
Viktor C. Birschitzky, Florian Ellinger, Ulrike Diebold +2
Polaron defects are ubiquitous in materials and play an important role in many processes involving carrier mobility, charge transfer and surface reactivity. Determining the spatial…