Scientific Publications

Aggoune, W.; Eljarrat, A.; Nabok, D.; Irmscher, K.; Zupancic, M.; Galazka, Z.; Albrecht, M.; Koch, C.; Draxl, C.: A consistent picture of excitations in cubic BaSnO₃ revealed by combining theory and experiment. Communications Materials 3, 12 (2022)

Ahsan, M. A.; He, T.; Noveron, J. C.; Reuter, K.; Puente-Santiago, A. R.; Luque, R.: Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective. Chemical Society Reviews 51 (3), pp. 812 - 828 (2022)

Akay, Ö.; Poon, J.; Robertson, C.; Abdi, F. F.; Roldan Cuenya, B.; Giersig, M.; Brinkert, K.: Releasing the Bubbles: Nanotopographical Electrocatalyst Design for Efficient Photoelectrochemical Hydrogen Production in Microgravity Environment. Advanced Science 9 (8), 2105380 (2022)

Arrigo, R.; Blume, R.; Large, A. I.; Velasco Vélez, J.; Hävecker, M.; Knop-Gericke, A.; Held, G.: Dynamics over a Cu-graphite electrode during the gas-phase CO₂ reduction investigated by APXPS. Faraday Discussions 236, pp. 126 - 140 (2022)

Arrigo, R.; Blume, R.; Streibel, V.; Genovese, C.; Roldan, A.; Schuster, M. E.; Ampelli, C.; Perathoner, S.; Velasco Vélez, J.; Hävecker, M. et al.; Knop-Gericke, A.; Schlögl, R.; Centi, G.: Dynamics at Polarized Carbon Dioxide-Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation. ACS Catalysis 12 (1), pp. 411 - 430 (2022)

Balos, V.; Garling, T.; Diaz Duque, A.; John, B.; Wolf, M.; Thämer, M.: Phase-Sensitive Vibrational Sum and Difference Frequency-Generation Spectroscopy Enabling Nanometer-Depth Profiling at Interfaces. The Journal of Physical Chemistry C 126 (26), pp. 10818 - 10832 (2022)

Balos, V.; Kaliannan, N. K.; Elgabarty, H.; Wolf, M.; Kühne, T. D.; Sajadi, M.: Time-resolved terahertz–Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water. Nature Chemistry 14 (9), pp. 1031 - 1037 (2022)

Barreto, J.; Caetano, R.; Ramos, M. I.; Alí, A.; Félix, G.; Annese, E.; Nilius, N.; Freund, H.-J.; Archanjo, B. S.; Achete, C. A. et al.; Bagus, P. S.; Stavale, F.: Core-level binding energy shifts between interior, terrace and edge atoms in MnO(001) thin films. Surface Science 725, 122159 (2022)

Bauer, M. N.; Probert, M. I. J.; Panosetti, C.: Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions. The Journal of Physical Chemistry A 126 (19), pp. 3043 - 3056 (2022)

Beinlich, S.; Hörmann, N.; Reuter, K.: Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes? ACS Catalysis 12 (10), pp. 6143 - 6148 (2022)

Belthle, K. S.; Beyazay, T.; Ochoa-Hernández, C.; Miyazaki, R.; Foppa, L.; Martin, W. F.; Tüysüz, H.: Effects of Silica Modification (Mg, Al, Ca, Ti, and Zr) on Supported Cobalt Catalysts for H₂-Dependent CO₂ Reduction to Metabolic Intermediates. Journal of the American Chemical Society 144 (46), pp. 21232 - 21243 (2022)

Bierhance, G.; Markou, A.; Gückstock, O.; Rouzegar, S. M.; Behovits, Y.; Chekhov, A.; Wolf, M.; Seifert, T.; Felser, C.; Kampfrath, T.: Spin-voltage-driven efficient terahertz spin currents from the magnetic Weyl semimetals Co₂MnGa and Co₂MnAl. Applied Physics Letters 120 (8), 082401 (2022)

Boeri, L.; Hennig, R. G.; Hirschfeld, P. J.; Profeta, G.; Sanna, A.; Zurek, E.; Pickett, W. E.; Amsler, M.; Dias, R.; Eremets, M. et al.; Heil, C.; Hemley, R.; Liu, H.; Ma, Y.; Pierleoni, C.; Kolmogorov, A.; Rybin, N.; Novoselov, D.; Anisimov, V. I.; Oganov, A. R.; Pickard, C. J.; Bi, T.; Arita, R.; Errea, I.; Pellegrini, C.; Requist, R.; Gross, E.K.U.; Margine, E. R.; Xie, S. R.; Quan, Y.; Hire, A.; Fanfarillo, L.; Stewart, G. R.; Hamlin, J. J.; Stanev, V.; Gonnelli, R. S.; Piatti, E.; Romanin, D.; Daghero, D.; Valenti, R.: The 2021 Room-Temperature Superconductivity Roadmap. Journal of Physics: Condensed Matter 34 (18), 183002 (2022)

Boix, V.; Xu, W.; D’Acunto, G.; Stubbe, J.; Gallo, T.; Strømsheim, M. D.; Zhu, S.; Scardamaglia, M.; Shavorskiy, A.; Reuter, K. et al.; Andersen, M.; Knudsen, J.: Graphene as an Adsorption Template for Studying Double Bond Activation in Catalysis. The Journal of Physical Chemistry C 126 (33), pp. 14116 - 14124 (2022)

Boll, R.; Schäfer, J. M.; Richard, B.; Fehre, K.; Kastirke, G.; Jurek, Z.; Schöffler, M. S.; Abdullah, M. M.; Anders, N.; Baumann, T. M. et al.; Eckart, S.; Erk, B.; Fanis, A. D.; Dörner, R.; Grundmann, S.; Grychtol, P.; Hartung, A.; Hofmann, M.; Ilchen, M.; Inhester, L.; Janke, C.; Jin, R.; Kircher, M.; Kubicek, K.; Kunitski, M.; Li, X.; Mazza, T.; Meister, S.; Melzer, N.; Montano, J.; Music, V.; Nalin, G.; Ovcharenko, Y.; Passow, C.; Pier, A.; Rennhack, N.; Rist, J.; Rivas, D. E.; Rolles, D.; Schlichting, I.; Schmidt, L. P. H.; Schmidt, P.; Siebert, J.; Strenger, N.; Trabert, D.; Trinter, F.; Vela-Perez, I.; Wagner, R.; Walter, P.; Weller, M.; Ziolkowski, P.; Son, S.-K.; Rudenko, A.; Meyer, M.; Santra, R.; Jahnke, T.: X-ray multiphoton-induced Coulomb explosion images complex single molecules. Nature Physics 18 (4), pp. 423 - 428 (2022)

Bowker, M.; DeBeer, S.; Dummer, N. F.; Hutchings, G. J.; Scheffler, M.; Schüth, F.; Taylor, S. H.; Tüysüz, H.: Advancing Critical Chemical Processes for a Sustainable Future: Challenges for Industry and the Max Planck–Cardiff Centre on the Fundamentals of Heterogeneous Catalysis (FUNCAT). Angewandte Chemie 134 (50), e202209016 (2022)

Bowker, M.; DeBeer, S.; Dummer, N. F.; Hutchings, G. J.; Scheffler, M.; Schüth, F.; Taylor, S. H.; Tüysüz, H.: Advancing Critical Chemical Processes for a Sustainable Future: Challenges for Industry and the Max Planck–Cardiff Centre on the Fundamentals of Heterogeneous Catalysis (FUNCAT). Angewandte Chemie International Edition 61 (50), e202209016 (2022)

Brooks, A.; Jenkins, S. J.; Wrabetz, S.; McGregor, J.; Sacchi, M.: The dehydrogenation of butane on metal-free graphene. Journal of Colloid and Interface Science 619, pp. 377 - 387 (2022)

Brösigke, G.; Repke, J.-U.; Schomäcker, R.; Matera, S.: The closer the better? Theoretical assessment of the impact of catalytic site separation for bifunctional core-shell catalyst particles. Chemical Engineering Journal 446 (1), 136891 (2022)

Burson, K. M.; Yang, H. J.; Wall, D. S.; Marsh, T.; Yang, Z.; Kuhness, D.; Brinker, M.; Gura, L.; Heyde, M.; Schneider, W.-D. et al.; Freund, H.-J.: Mesoscopic Structures and Coexisting Phases in Silica Films. The Journal of Physical Chemistry C 126 (7), pp. 3736 - 3742 (2022)