285 citations · 630 across the 37 of their papers we have counts for
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The absence of a central metal ion destabilizes phthalocyanine on InO(111)
Viktoria Waidbacher, Sarah Tobisch, Faith J. Lewis +5
Metal phthalocyanines (MPc) are a versatile molecular platform for applications ranging from organic optoelectronic devices to single-atom catalysis (SAC). Their adsorption and lay…
Water adsorption on a model silicate surface: wollastonite (100)
Luca Lezuo, Andrea Conti, Alexander Hoheneder +7
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure…
Photoexcited Hole States at the SrTiO3(001) Surface Imaged with Noncontact AFM
Igor Sokolovic, Florian Ellinger, Aji Alexander +8
The behaviour of excess charges in ionic lattices, such as the formation of polarons and charge trapping at defect sites, influences the physical and chemical properties of materia…
The Unreconstructed α-AlO(0001) Surface is Inhomogeneous and Rough
Johanna I. Hütner-Reisch, Andrea Conti, David Kugler +4
Alumina (AlO) is a key material for thin-film growth and heterogeneous catalysis, where the atomic surface structure critically impacts performance. Using noncontact at…
CO on a Rh/Fe3O4 single-atom catalyst: high-resolution infrared spectroscopy and near-ambient-pressure scanning tunnelling microscopy
Nail El Hocine Barama, Chunlei Wang, Panukorn Sombut +14
Infrared reflection absorption spectroscopy (IRAS) offers a powerful route to bridging the materials and pressure gaps between surface science and powder catalysis. Using a newly d…
Hydrogen Activation via Dihydride Formation on a Rh1/Fe3O4(001) Single-Atom Catalyst
Chunlei Wang, Panukorn Sombut, Lena Puntscher +10
Hydrogen activation is a key elementary step in catalytic hydrogenation. In heterogeneous catalysis, it usually proceeds through dissociative adsorption on metal nanoparticles foll…
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…
When Surface Dynamics Fakes Symmetry -- Oxygen on Rh(100) Revisited
Lutz Hammer, Tilman Kißlinger, Margareta Wagner +4
Heating a long-range ordered adsorbate phase beyond its stability temperature does not necessarily result in a disordered phase, it can also break up into heavily fluctuating order…
Molecular Arrangements in the First Monolayer of Cu-Phthalocyanine on InO(111)
Matthias Blatnik, Fabio Calcinelli, Andreas Jeindl +6
Well-ordered organic molecular layers on oxide surfaces are key for organic electronics. Using a combination of scanning tunneling microscopy (STM) and non-contact atomic force mic…
Machine Learning Study of Surface Reconstructions of the CuO(111) Surface
Payal Wadhwa, Michael Schmid, Georg Kresse
The atomic structure of the most stable reconstructed surface of cuprous oxide (CuO)(111) surface has been a longstanding topic of debate. In this study, we develop on-the-fl…
How to cleave cubic perovskite oxides
Igor Sokolović, Michael Schmid, Ulrike Diebold +1
Surfaces of cubic perovskite oxides attract significant attention for their physical tunability and high potential for technical applications. Bulk-terminated surfaces are desirabl…
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…
A Multi-Technique Study of C2H4 Adsorption on a Model Single-Atom Rh1 Catalyst
Chunlei Wang, Panukorn Sombut, Lena Puntscher +9
Single-atom catalysts are potentially ideal model systems to investigate structure-function relationships in catalysis, if the active sites can be uniquely determined. In this work…
Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO(001)
Igor Sokolović, Eduardo B. Guedes, Thomas P. van Waas +7
Two-dimensional electron liquids (2DELs) have increasing technological relevance for ultrafast electronics and spintronics, yet significant gaps in their fundamental understanding…
Stoichiometric reconstruction of the AlO(0001) surface
Johanna I. Hütner, Andrea Conti, David Kugler +5
Macroscopic properties of materials stem from fundamental atomic-scale details, yet for insulators, resolving surface structures remains a challenge. The basal (0001) plane of -…
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…
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…
Adsorption configurations of Co-phthalocyanine on In2O3(111)
Margareta Wagner, Fabio Calcinelli, Andreas Jeindl +3
Indium oxide offers optical transparency paired with electric conductivity, a combination required in many optoelectronic applications. The most-stable In2O3(111) surface has a lar…