68 citations · 294 across the 18 of their papers we have counts for
19 papers
Structural Optimization in Tensor LEED Using a Parameter Tree and -Factor Gradients
Alexander M. Imre, Paul Haidegger, Florian Kraushofer +10
Quantitative low-energy electron diffraction [LEED ] is a powerful method for surface-structure determination, based on a direct comparison of experimentally observed …
An improved reliability factor for quantitative low-energy electron diffraction
Alexander M. Imre, Lutz Hammer, Ulrike Diebold +2
Quantitative low-energy electron diffraction [LEED or LEED , the evaluation of diffraction intensities as a function of the electron energy] is a versatile techniq…
Total Variation-Based Image Decomposition and Denoising for Microscopy Images
Marco Corrias, Giada Franceschi, Michele Riva +5
Experimentally acquired microscopy images are unavoidably affected by the presence of noise and other unwanted signals, which degrade their quality and might hide relevant features…
ViPErLEED package I: Calculation of curves and structural optimization
Florian Kraushofer, Alexander M. Imre, Giada Franceschi +6
Low-energy electron diffraction (LEED) is a widely used technique in surface-science. Yet, it is rarely used to its full potential. The quantitative information about the surface s…
Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst
Ali Rafsanjani-Abbasi, Florian Buchner, Faith J. Lewis +15
Determining the local coordination of the active site is a pre-requisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powde…
ViPErLEED package II: Spot tracking, extraction and processing of I(V) curves
Michael Schmid, Florian Kraushofer, Alexander M. Imre +4
As part of the ViPErLEED project (Vienna package for Erlangen LEED, low-energy electron diffraction), computer programs have been developed for facile and user-friendly data extrac…
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…
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…
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…
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…
Fe3O4(110)-(1x3) Revisited: Periodic (111) Nano-Facets
Gareth S. Parkinson, Peter Lackner, Oscar Gamba +6
The structure of the Fe3O4(110)-(1x3) surface was studied with scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and reflection high energy electron diff…