568 citations · 5k across the 72 of their papers we have counts for
72 papers
Evolution of the surface atomic structure of multielement oxide films: curse or blessing?
Giada Franceschi, Renè Heller, Michael Schmid +2
Atomically resolved scanning tunneling microscopy (STM) and x-ray photoelectron spectroscopy (XPS) are used to gain atomic-scale insights into the heteroepitaxy of lanthanum-stront…
How water binds to microcline feldspar (001)
Giada Franceschi, Andrea Conti, Luca Lezuo +4
Microcline feldspar (KAlSiO) is a common mineral with important roles for Earth's ecological balance. It participates in the carbon, potassium, and water cycles, contributi…
Interaction of surface cations of cleaved mica with water in vapor and liquid forms
Giada Franceschi, Sebastian Brandstetter, Jan Balajka +5
Natural minerals contain ions that become hydrated when they come into contact with water in vapor and liquid forms. Muscovite mica -- a common phyllosilicate with perfect cleavage…
Resolving the intrinsic short-range ordering of K ions on cleaved muscovite mica
Giada Franceschi, Pavel Kocán, Andrea Conti +8
Muscovite mica, KAl(SiAl)O(OH), is a common layered phyllosilicate with perfect cleavage planes. The atomically flat surfaces obtained through cleaving lend them…
Reconstruction changes drive surface diffusion and determine the flatness of oxide surfaces
Giada Franceschi, Michael Schmid, Ulrike Diebold +1
Surface diffusion on metal oxides is key in many areas of materials technology, yet it has been scarcely explored at the atomic scale. This work provides phenomenological insights…
The effect of different InO(111) surface terminations on CO adsorption
Sabrina M. Gericke, Minttu M. Kauppinen, Margareta Wagner +15
InO-based catalysts have shown high activity and selectivity for CO hydrogenation to methanol, however the origin of the high performance of InO is still unclea…
Oxygen-Terminated (1x1) Reconstruction of Reduced Magnetite FeO(111)
Florian Kraushofer, Matthias Meier, Zdeněk Jakub +7
The (111) facet of magnetite (FeO) has been studied extensively by experimental and theoretical methods, but controversy remains regarding the structure of its low-energy s…
A study of Pt, Rh, Ni and Ir dispersion on anatase TiO2(101) and the role of water
Lena Puntscher, Kevin Daninger, Michael Schmid +2
Understanding how metal atoms are stabilized on metal oxide supports is important for predicting the stability of single-atom catalysts. In this study, we use scanning tunnelling m…
The prototypical organic-oxide interface: intra-molecular resolution of sexiphenyl on InO(111)
Margareta Wagner, Jakob Hofinger, Martin Setvín +3
The performance of an organic-semiconductor device is critically determined by the geometric alignment, orientation, and ordering of the organic molecules. While an organic multila…
Direct assessment of the proton affinity of individual surface hydroxyls with non-contact atomic force microscopy
Margareta Wagner, Bernd Meyer, Martin Setvin +2
The state of protonation/deprotonation of surfaces has far-ranging implications in all areas of chemistry: from acid-base catalysis and the electro- and photocatalytic splittin…
Water Structures Reveal Local Hydrophobicity on the In2O3(111) Surface
Hao Chen, Matthias A. Blatnik, Christian L. Ritterhoff +9
Clean oxide surfaces are generally hydrophilic. Water molecules anchor at undercoordinated surface metal atoms that act as Lewis-acid sites, and they are stabilized by H bonds to u…
Real-space investigation of polarons in hematite Fe2O3
Jesus Redondo, Michele Reticcioli, Vit Gabriel +17
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many mate…
Hematite in top and side view: resolving long-standing controversies about its surface structure
Jesús Redondo, Jan Michalička, Giada Franceschi +13
Hematite is the most-investigated iron oxide model system in photo and electrocatalytic research. The rich chemistry of Fe and O allows for many bulk and surf…
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…
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…
Unravelling CO adsorption on model single-atom catalysts
Jan Hulva, Matthias Meier, Roland Bliem +6
Understanding how the local environment of a single-atom catalyst affects stability and reactivity remains a significant challenge. We present an in-depth study of Cu1, Ag1, Au1, N…
Atomic-scale studies of Fe3O4(001) and TiO2(110) surfaces following immersion in CO2-acidified water
Francesca Mirabella, Jan Balajka1, Jiri Pavelec +5
Difficulties associated with the integration of liquids into a UHV environment make surface-science style studies of mineral dissolution particularly challenging. Recently, we deve…
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…
An oxygen-rich, tetrahedral surface phase on high-temperature rutile VO(110) single crystals
Margareta Wagner, Jakub Planer, Bettina S. J. Heller +9
Vanadium dioxide undergoes a metal-insulator transition (MIT) from an insulating (monoclinic) to a metallic (tetragonal) phase close to room temperature, which makes it a promising…