Wissenschaftliche Artikel

Parkinson, G. (2025). “Single-atom” catalysis: An opportunity for surface science. Surface Science, 754, 1–7. https://doi.org/10.1016/j.susc.2024.122687 ( reposiTUm)
Kraushofer, F., Imre, A. M., Franceschi, G., Kißlinger, T., Rheinfrank, E. H., Schmid, M., Diebold, U., Hammer, L., & Riva, M. (2025). ViPErLEED package I: Calculation of I(V) curves and structural optimization. Physical Review Research (PRResearch), 7(1), Article 013005. https://doi.org/10.1103/PhysRevResearch.7.013005 ( reposiTUm)
Schmid, M., Kraushofer, F., Imre, A. M., Kißlinger, T., Hammer, L., Diebold, U., & Riva, M. (2025). ViPErLEED package II: Spot tracking, extraction, and processing of I(V) curves. Physical Review Research (PRResearch), 7(1), Article 013006. https://doi.org/10.1103/PhysRevResearch.7.013006 ( reposiTUm)
Heid, E. C., Schörghuber, J., Wanzenböck, R., & Madsen, G. K. H. (2024). Spatially Resolved Uncertainties for Machine Learning Potentials. Journal of Chemical Information and Modeling, 64(16), 6377–6387. https://doi.org/10.1021/acs.jcim.4c00904 ( reposiTUm)
Sidorowicz, A., Yigit, N., Wicht, T., Stöger-Pollach, M., Concas, A., Orrù, R., Cao, G., & Rupprechter, G. (2024). Microalgae-derived Co₃O₄ nanomaterials for catalytic CO oxidation. RSC Advances, 14(7), 4575–4586. https://doi.org/10.1039/d4ra00343h ( reposiTUm)
Chanka, N., Donphai, W., Chareonpanich, M., Faungnawakij, K., Rupprechter, G., & Seubsai, A. (2024). Potassium Permanganate-Impregnated Amorphous Silica-Alumina Derived from Sugar Cane Bagasse Ash as an Ethylene Scavenger for Extending Shelf Life of Mango Fruits. ACS Omega, 9(6), 6749–6760. https://doi.org/10.1021/acsomega.3c08119 ( reposiTUm)
Kovács, P., Heid, E., De Landsheere, J., & Madsen, G. K. H. (2024). LoGAN: local generative adversarial network for novel structure prediction. MACHINE LEARNING-SCIENCE AND TECHNOLOGY, 5(3), 1–10. https://doi.org/10.1088/2632-2153/ad7a4d ( reposiTUm)
Lasemi, N., Liedl, G., & Rupprechter, G. (2023). Formation of Periodic Surface Structures by Multipulse Femtosecond Laser Processing of Au-Coated Ni in Various Fluids. ACS Applied Engineering Materials, 1(4), 1263–1276. https://doi.org/10.1021/acsaenm.3c00070 ( reposiTUm)
Raab, M., Zeininger, J., Suchorski, Y., Genest, A., Weigl, C., & Rupprechter, G. (2023). Lanthanum modulated reaction pacemakers on a single catalytic nanoparticle. Nature Communications, 14(1), Article 7186. https://doi.org/10.1038/s41467-023-43026-3 ( reposiTUm)
Franceschi, G., Heller, R., Schmid, M., Diebold, U., & Riva, M. (2023). Evolution of the surface atomic structure of multielement oxide films: curse or blessing? Nanoscale Advances, 5(24), 7009–7017. https://doi.org/10.1039/D3NA00847A ( reposiTUm)
Carrete, J., Montes-Campos, H., Wanzenböck, R., Heid, E., & Madsen, G. K. H. (2023). Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning. Journal of Chemical Physics, 158(20), Article 204801. https://doi.org/10.1063/5.0146905 ( reposiTUm)
Phichairatanaphong, O., Yigit, N., Rupprechter, G., Chareonpanich, M., & Donphai, W. (2023). Highly efficient conversion of greenhouse gases using a quadruple mixed oxide-supported nickel catalyst in reforming process. Industrial & Engineering Chemistry Research, 62(40), 16254–16267. https://doi.org/10.1021/acs.iecr.3c02030 ( reposiTUm)
Gericke, S. M., Kauppinen, M. M., Wagner, M., Riva, M., Franceschi, G., Posada-Borbón, A., Rämisch, L., Pfaff, S., Rheinfrank, E., Imre, A. M., Preobrajenski, A. B., Appelfeller, S., Blomberg, S., Merte, L. R., Zetterberg, J., Diebold, U., Grönbeck, H., & Lundgren, E. (2023). Effect of different In₂O₃(111) surface terminations on CO₂ adsorption. ACS Applied Materials and Interfaces, 15(38), 45367–45377. https://doi.org/10.1021/acsami.3c07166 ( reposiTUm)
Corrias, M., Papa, L., Sokolović, I., Birschitzky, V., Gorfer, A., Setvin, M., Schmid, M., Diebold, U., Reticcioli, M., & Franchini, C. (2023). Automated real-space lattice extraction for atomic force microscopy images. Machine Learning: Science and Technology, 4(1), Article 015015. https://doi.org/10.1088/2632-2153/acb5e0 ( reposiTUm)
Puntscher, L., Sombut, P., Wang, C., Ulreich, M., Pavelec, J., Rafsanjani-Abbasi, A., Meier, M., Lagin, A., Setvin, M., Diebold, U., Franchini, C., Schmid, M., & Parkinson, G. S. (2023). A multitechnique study of C₂H₄ adsorption on Fe₃O₄(001). JOURNAL OF PHYSICAL CHEMISTRY C, 127(37), 18378–18388. https://doi.org/10.1021/acs.jpcc.3c03684 ( reposiTUm)
Gamba, O., Eder, M. M. J., Poglitsch, M., Pavelec, J., Sombut, P., Meier, M., Diebold, U., Schmid, M., & Parkinson, G. (2023). Formation and stability of Fe-rich terminations of the Fe₃O₄(001) surface. Materials Research Express, 10(11), Article 116517. https://doi.org/10.1088/2053-1591/ad0ac5 ( reposiTUm)
Tampieri, A., Föttinger, K., Barrabés Rabanal, N., & Medina, F. (2022). Catalytic aldol condensation of bio-derived furanic aldehydes and acetone: Challenges and opportunities. Applied Catalysis B: Environmental, 319, Article 121889. https://doi.org/10.1016/j.apcatb.2022.121889 ( reposiTUm)

Präsentationen

Kubin, A. (2024, May 21). Dynamical Stability of the Surface Diffusion Flow in the Flat Torus [Conference Presentation]. SIAM Conference on Mathematical Aspects of Materials Science (MS 2024), Pittsburgh, United States of America (the). ( reposiTUm)
Wanzenböck, R. (2023, February 14). Accelerated Search for Surface Reconstructions through Chemical and Structural Space [Conference Presentation]. TAming COmplexity in Materials Modeling (TACO) 2nd Annual PhD Workshop, Schladming, Austria. http://hdl.handle.net/20.500.12708/193593 ( reposiTUm)
Wanzenböck, R., Buchner, F., Carrete Montana, J., & Madsen, G. K. H. (2023, September). Accelerated Search for Surface Reconstructions [Poster Presentation]. Joint TACO-NanoCat Conference 2023, Wien, Austria. ( reposiTUm)
Pittenauer, M., & Föttinger, K. (2022, September 15). Structure and reactivity of mixed oxide nanoparticles: progress and next steps [Conference Presentation]. TACO Retreat 2022, Frankenfels, Austria. ( reposiTUm)
Föttinger, K. (2022, April 8). In situ studies of catalysts for unravelling structure dynamics and reaction mechanisms [Presentation]. Institutsseminar Jagiellonian University Krakov, Austria. ( reposiTUm)

Spezialbeiträge

Zeininger, J., & Rupprechter, G. (2023, March). Effizienter Wasserstoff: Tanz der Atome. Bulletin. Alumni-Magazin der TU Wien, 54, 11–12. ( reposiTUm)