Scientific Publications

Panafidin, M.A.; Bukhtiyarov, A.V.; Prosvirin, I.P.; Chetyrin, I.A.; Klyushin, A.; Knop-Gericke, A.; Smirnova, N.S.; Markov, P.V.; Mashkovsky, I.S.; Zubavichus, Y.V. et al.; Stakheev, A.Y.; Bukhtiyarov, V.I.: A mild post-synthesis oxidative treatment of Pd-In/HOPG bimetallic catalysts as a tool of their surface structure fine tuning. Applied Surface Science 571, 151350 (2022)

Shin, D.; Bhandari, S.; Tesch, M. F.; Bonke, S. A.; Jaouen, F.; Chabbra, S.; Pratsch, C.; Schnegg, A.; Mechler, A. K.: Reduced formation of peroxide and radical species stabilises iron-based hybrid catalysts in polymer electrolyte membrane fuel cells. Journal of Energy Chemistry 65, pp. 433 - 438 (2022)

Wang, X.; Fu, C.; Feng, Z.; Huo, H.; Yin, X.; Gao, G.; Yin, G.; Ci, L.; Tong, Y.; Jiang, Z. et al.; Wang, J.: Flyash/polymer composite electrolyte with internal binding interaction enables highly-stable extrinsic-interfaces of all-solid-state lithium batteries. Chemical Engineering Journal 428, 131041 (2022)

Abdelbaki, Y.; de Arriba, A.; Solsona, B.; Delgado, D.; García-González, E.; Issadi, R.; López Nieto, J. M.: The nickel-support interaction as determining factor of the selectivity to ethylene in the oxidative dehydrogenation of ethane over nickel oxide/alumina catalysts. Applied Catalysis A 623, 118242 (2021)

Amati, M.; Gregoratti, L.; Zeller, P.; Greiner, M.; Scardamaglia, M.; Junker, B.; Ruß, T.; Weimar, U.; Barsan, N.; Favaro, M. et al.; Alharbi, A.; Jensen, I. J. T.; Ali, A.; Belle, B. D.: Near ambient pressure photoelectron spectro-microscopy: from gas–solid interface to operando devices. Journal of Physics D: Applied Physics 54 (20), 204004 (2021)

Ament, K.; Köwitsch, N.; Hou, D.; Götsch, T.; Kröhnert, J.; Heard, C. J.; Trunschke, A.; Lunkenbein, T.; Armbrüster, M.; Breu, J.: Nanoparticles Supported on Sub‐Nanometer Oxide Films: Scaling Model Systems to Bulk Materials. Angewandte Chemie International Edition 60 (11), pp. 5890 - 5897 (2021)

Ament, K.; Köwitsch, N.; Hou, D.; Götsch, T.; Kröhnert, J.; Heard, C. J.; Trunschke, A.; Lunkenbein, T.; Armbrüster, M.; Breu, J.: Nanopartikel auf subnanometer dünnen oxidischen Filmen: Skalierung von Modellsystemen. Angewandte Chemie 133 (11), pp. 5954 - 5961 (2021)

Andersen, C. W.; Armiento, R.; Blokhin, E.; Conduit, G. J.; Dwaraknath, S.; Evans, M. L.; Fekete, Á.; Gopakumar, A.; Gražulis, S.; Merkys, A. et al.; Mohamed, F. R.; Oses, C.; Pizzi, G.; Rignanese, G.-M.; Scheidgen, M.; Talirz, L.; Toher, C.; Winston, D.; Aversa, R.; Choudhary, K.; Colinet, P.; Curtarolo, S.; Di Stefano, D.; Draxl, C.; Er, S.; Esters, M.; Fornari, M.; Giantomassi, M.; Govoni, M.; Hautier, G.; Hegde, V.; Horton, M. K.; Huck, P.; Huhs, G.; Hummelshøj, J.; Kariryaa, A.; Kozinsky, B.; Kumbhar, S.; Liu, M.; Marzari, N.; Morris, A. J.; Mostofi, A. A.; Persson, K. A.; Petretto, G.; Purcell, T.; Ricci, F.; Rose, F.; Scheffler, M.; Speckhard, D.; Uhrin, M.; Vaitkus, A.; Villars, P.; Waroquiers, D.; Wolverton, C.; Wu, M.; Yang, X.: OPTIMADE, an API for exchanging materials data. Scientific Data 8, 217 (2021)

Andersen, M.; Reuter, K.: Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors. Accounts of Chemical Research 54 (12), pp. 2741 - 2749 (2021)

Auth, T.; Grabarics, M.; Schlangen, M.; Pagel, K.; Koszinowski, K.: Modular Ion Mobility Calibrants for Organometallic Anions Based on Tetraorganylborate Salts. Analytical Chemistry 93 (28), pp. 9797 - 9807 (2021)

Balos, V.; Müller, P.; Jakob, G.; Kläui, M.; Sajadi, M.: Imprinting the complex dielectric permittivity of liquids into the spintronic terahertz emission. Applied Physics Letters 119 (9), 091104 (2021)

Bao, X.; Behrens, M.; Ertl, G.; Fu, Q.; Knop-Gericke, A.; Lunkenbein, T.; Muhler, M.; Schmidt, C. W.; Trunschke, A.: A Career in Catalysis: Robert Schlögl. ACS Catalysis 11 (10), pp. 6243 - 6260 (2021)

Beaulieu, S.; Dong, S.; Tancogne-Dejean, N.; Dendzik, M. R.; Pincelli, T.; Maklar, J.; Xian, R. P.; Sentef, M. A.; Wolf, M.; Rubio, A. et al.; Rettig, L.; Ernstorfer, R.: Ultrafast dynamical Lifshitz transition. Science Advances 7 (17), eabd9275 (2021)

Berger, E.; Jamnuch, S.; Uzundal, C. B.; Woodahl, C.; Padmanabhan, H.; Amado, A.; Manset, P.; Hirata, Y.; Kubota, Y.; Owada, S. et al.; Tono, K.; Yabashi, M.; Wang, C.; Shi, Y.; Gopalan, V.; Schwartz, C. P.; Drisdell, W. S.; Matsuda, I.; Freeland, J. W.; Pascal, T. A.; Zürch, M.: Extreme Ultraviolet Second Harmonic Generation Spectroscopy in a Polar Metal. Nano Letters 21 (14), pp. 6095 - 6101 (2021)

Berti, G.; Davis, E.; Kuhlenbeck, H.; Freund, H.-J.: Interaction of CO₂ with well-ordered iron sulfide films on Au(111). Surface Science 710, 121853 (2021)

Bielik, T.; Friedrich, B.: Creating Much Out of Nothing: The Relationship between Fritz Haber and Chaim Weizmann. The Israel Chemist and Chemical Engineer (7), pp. 22 - 29 (2021)

Bischoff, F.; Riss, A.; Michelitsch, G. S.; Ducke, J.; Barth, J. V.; Reuter, K.; Auwärter, W.: Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion. Journal of the American Chemical Society 143 (37), pp. 15131 - 15138 (2021)

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 (accepted)

Boydas, E. B.; Winter, B.; Batchelor, D.; Roemelt, M.: Insight into the X‐ray absorption spectra of Cu‐porphyrazines from electronic structure theory. International Journal of Quantum Chemistry 121 (3), e26515 (2021)

Brezicki, G.; Zheng, J.; Paolucci, C.; Schlögl, R.; Davis, R. J.: Effect of the Co-cation on Cu Speciation in Cu-Exchanged Mordenite and ZSM-5 Catalysts for the Oxidation of Methane to Methanol. ACS Catalysis 11 (9), pp. 4973 - 4987 (2021)