Zobrazeno 1 - 10
of 769
pro vyhledávání: '"Diebold, Ulrike"'
Surfaces of cubic perovskite oxides attract significant attention for their physical tunability and high potential for technical applications. Bulk-terminated surfaces are desirable for theoretical modelling and experimental reproducibility, yet ther
Externí odkaz:
http://arxiv.org/abs/2408.08996
Autor:
Rafsanjani-Abbasi, Ali, Buchner, Florian, Lewis, Faith J., Puntscher, Lena, Kraushofer, Florian, Sombut, Panukorn, Eder, Moritz, Pavelec, Jiri, Rheinfrank, Erik, Franceschi, Giada, Birschitzky, Viktor C., Riva, Michele, Franchini, Cesare, Schmid, Michael, Diebold, Ulrike, Meier, Matthias, Madsen, Georg K. H., Parkinson, Gareth S.
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 powder-based systems, so much emphasis is placed on density functional theo
Externí odkaz:
http://arxiv.org/abs/2406.18525
Autor:
Kraushofer, Florian, Imre, Alexander M., Franceschi, Giada, Kißlinger, Tilman, Rheinfrank, Erik, Schmid, Michael, Diebold, Ulrike, Hammer, Lutz, Riva, Michele
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 structure, contained in the modulation of the intensities of the diffra
Externí odkaz:
http://arxiv.org/abs/2406.18821
Autor:
Schmid, Michael, Kraushofer, Florian, Imre, Alexander M., Kißlinger, Tilman, Hammer, Lutz, Diebold, Ulrike, Riva, Michele
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 extraction from movies of LEED images. The programs make use of some concept
Externí odkaz:
http://arxiv.org/abs/2406.18413
Autor:
Ryan, Paul T. P., Sombut, Panukorn, Abbasi, Ali Rafsanjani, Wang, Chunlei, Eratam, Fulden, Goto, Francesco, Diebold, Ulrike, Meier, Matthias, Duncan, David A., Parkinson, Gareth S.
Water-solid interfaces pervade the natural environment and modern technology. On some surfaces, water-water interactions induce the formation of partially dissociated interfacial layers; understanding why is important to model processes in catalysis
Externí odkaz:
http://arxiv.org/abs/2406.18264
Autor:
Wang, Chunlei, Sombut, Panukorn, Puntscher, Lena, Ulreich, Manuel, Pavelec, Jiri, Rath, David, Balajka, Jan, Meier, Matthias, Schmid, Michael, Diebold, Ulrike, Franchini, Cesare, Parkinson, Gareth S.
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, we study the interaction of C2H4 with a model Rh/Fe3O4(001) catalyst
Externí odkaz:
http://arxiv.org/abs/2406.03016
Autor:
Hütner, Johanna I., Conti, Andrea, Kugler, David, Mittendorfer, Florian, Kresse, Georg, Schmid, Michael, Diebold, Ulrike, Balajka, Jan
Publikováno v:
Science 385, 6714, 1241-1244 (2024)
Macroscopic properties of materials stem from fundamental atomic-scale details, yet for insulators, resolving surface structures remains a challenge. The basal (0001) plane of ${\alpha}$-Al$_{2}$O$_{3}$ was imaged with noncontact atomic force microsc
Externí odkaz:
http://arxiv.org/abs/2405.19263
Autor:
Sokolović, Igor, Guedes, Eduardo B., van Waas, Thomas P., Poncé, Samuel, Polley, Craig, Schmid, Michael, Diebold, Ulrike, Radović, Milan, Setvín, Martin, Dil, J. Hugo
Two-dimensional electron liquids (2DELs) have increasing technological relevance for ultrafast electronics and spintronics, yet significant gaps in their fundamental understanding are exemplified on the prototypical SrTiO$_3$. We correlate the exact
Externí odkaz:
http://arxiv.org/abs/2405.18946
Autor:
Franceschi, Giada, Conti, Andrea, Lezuo, Luca, Abart, Rainer, Mittendorfer, Florian, Schmid, Michael, Diebold, Ulrike
Publikováno v:
J. Chem. Phys. 160, 164312 (2024)
The interaction between ammonia (NH$_3$) and (alumino)silicates is of fundamental and applied importance, yet the specifics of NH$_3$ adsorption on silicate surfaces remain largely unexplored, mainly because of experimental challenges related to thei
Externí odkaz:
http://arxiv.org/abs/2404.17436
Autor:
Rath, David, Mikerásek, Vojtěch, Wang, Chunlei, Eder, Moritz, Schmid, Michael, Diebold, Ulrike, Parkinson, Gareth S., Pavelec, Jiří
Infrared Reflection Absorption Spectroscopy (IRAS) on dielectric single crystals is challenging because the optimal incidence angles for light-adsorbate interaction coincide with regions of low IR reflectivity. Here, we introduce an optimized IRAS se
Externí odkaz:
http://arxiv.org/abs/2403.19263