Fritz Haber Institute of the Max Planck Society

Publications by the Fritz Haber Institute (2001-)

Journal Article (6767)

2022

Journal Article

Panafidin, M.A., A.V. Bukhtiyarov, I.P. Prosvirin, I.A. Chetyrin, A. Klyushin, A. Knop-Gericke, N.S. Smirnova, P.V. Markov, I.S. Mashkovsky, Y.V. Zubavichus, A.Y. Stakheev and V.I. Bukhtiyarov: 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).

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

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Wang, X., C. Fu, Z. Feng, H. Huo, X. Yin, G. Gao, G. Yin, L. Ci, Y. Tong, Z. Jiang and J. Wang: 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).

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2021

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Abdelbaki, Y., A. de Arriba, B. Solsona, D. Delgado, E. García-González, R. Issadi and J.M. López Nieto: 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).

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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Brezicki, G., J. Zheng, C. Paolucci, R. Schlögl and R.J. Davis: 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), 4973–4987 (2021).

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Bruce, J.P., K.-L.C. Nguyen, F. Scholten, R. Aran Ais, J.J. Navarro, J. Hartmann, M. Heyde and B. Roldan Cuenya: Development of a single crystal sample holder for interfacing ultrahigh vacuum and electrochemical experimentation. Review of Scientific Instruments 92 (7), 074104 (2021).

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Buades, B., A. Picón, E. Berger, I. León, N. Di Palo, S.L. Cousin, C. Cocchi, E. Pellegrin, J.H. Martin, S. Mañas-Valero, E. Coronado, T. Danz, C. Draxi, M. Uemoto, K. Yabana, M. Schultze, S. Wall, M. Zürch and J. Biegert: Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES. Applied Physics Reviews 8 (1), 011408 (2021).

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Buades, B., A. Picón, E. Berger, I. León, N. Di Palo, S.L. Cousin, C. Cocchi, E. Pellegrin, J.H. Martin, S. Mañas-Valero, E. Coronado, T. Danz, C. Draxi, M. Uemoto, K. Yabana, M. Schultze, S. Wall, M. Zürch and J. Biegert: Publisher's Note: “Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES” [Appl. Phys Rev. 8, 011408 (2021)]. Applied Physics Reviews 8, 029903 (2021).

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Calati, S., Q. Li, X. Zhu and J. Stähler: Ultrafast evolution of the complex dielectric function of monolayer WS₂ after photoexcitation. Physical Chemistry Chemical Physics 23 (39), 22640–22646 (2021).

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Chee, S.W., T. Lunkenbein, R. Schlögl and B. Roldan Cuenya: In situ and operando electron microscopy in heterogeneous catalysis – insights into multi-scale chemical dynamics. Journal of Physics: Condensed Matter 33 (15), 153001 (2021).

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Chee, S.W., A. Yoon, F. Yang, P. Grosse, J. Poon and B. Roldan Cuenya: Understanding Structure-Property Relationships in Nanoparticle Electrocatalysts through Correlated Electron Microscopies. Microscopy and Microanalysis 27 (Supplement S1), 52–53 (2021).

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Chen, C., L. Fang, G. Zhao, X. Liu, J. Wang, L.A. Burton, Y. Zhang and W. Ren: A high-temperature quantum anomalous Hall effect in electride gadolinium monohalides. Journal of Materials Chemistry C 9 (30), 9539–9544 (2021).

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Chen, Z., N. Andrejevic, N. Drucker, T. Nguyen, R.P. Xian, T. Smidt, Y. Wang, R. Ernstorfer, A. Tennant, M. Chan and M. Li: Machine learning on neutron and x-ray scatteringand spectroscopies. Chemical Physics Reviews 2 (3), 031301 (2021).

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Credidio, B., M. Pugini, S. Malerz, F. Trinter, U. Hergenhahn, I. Wilkinson, S. Thürmer and B. Winter: Quantitative electronic structure and work-function changes of liquid water induced by solute. Physical Chemistry Chemical Physics, in press.

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Cretu, M.T. and J. Pérez-Ríos: Predicting second virial coefficients of organic and inorganic compounds using Gaussian process regression. Physical Chemistry Chemical Physics 23 (4), 2891–2898 (2021).

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Cui, W., Y. Xu, G. Luo, Q. Zhang, Z. Li and S. Zhang: Enhanced mercury removal performance of Cu-Fe binary oxide sorbents modified by non-thermal plasma. Chemical Engineering Journal 425, 131851 (2021).

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Cunningham, E.M., A.E. Green, G. Meizyte, A.S. Gentleman, P.W. Beardsmore, S. Schaller, K.M. Pollow, K. Saroukh, M. Förstel, O. Dopfer, W. Schöllkopf, A. Fielicke and S.R. Mackenzie: Infrared action spectroscopy of nitrous oxide on cationic gold and cobalt clusters. Physical Chemistry Chemical Physics 23 (1), 329–338 (2021).

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Ding, Y., L. Zhang, Q. Gu, I. Spanos, N. Pfänder, K.H. Wu, R. Schlögl and S. Heumann: Tuning of Reciprocal Carbon-Electrode Properties for an Optimized Hydrogen Evolution. ChemSusChem 14 (12), 2547–2553 (2021).

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Divins, N.J., D. Kordus, J. Timoshenko, I. Sinev, I. Zegkinoglou, A. Bergmann, S.W. Chee, S. Widrinna, O. Karslıoğlu, H. Mistry, M. Lopez Luna, J.Q. Zhong, A.S. Hoffmann, A. Boubnov, J.A. Boscoboinik, M. Heggen, R.E. Dunin-Borkowski, S.R. Bare and B. Roldan Cuenya: Operando high-pressure investigation of size-controlled CuZn catalysts for the methanol synthesis reaction. Nature Communications 12, 1435 (2021).

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Dong, S., M. Puppin, T. Pincelli, S. Beaulieu, D. Christiansen, H. Hübener, C. Nicholson, R.P. Xian, M.R. Dendzik, Y. Deng, Y.W. Windsor, M. Selig, E. Malic, A. Rubio, A. Knorr, M. Wolf, L. Rettig and R. Ernstorfer: Direct measurement of key exciton properties: Energy, dynamics, and spatial distribution of the wave function. Natural Sciences 1 (1), e10010 (2021).

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Doppelbauer, M., N. Walter, S. Hofsäss, S. Marx, H.C. Schewe, S. Kray, J. Pérez-Ríos, B.G. Sartakov, S. Truppe and G. Meijer: Characterisation of the b³Σ⁺ state and its interaction with the A¹Π state in aluminium monofluoride. Molecular Physics 119 (1-2), e1810351 (2021).

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Dupuy, R., C. Richter, B. Winter, G. Meijer, R. Schlögl and H. Bluhm: Core level photoelectron spectroscopy of heterogeneous reactions at liquid–vapor interfaces: Current status, challenges, and prospects. The Journal of Chemical Physics 154 (6), 060901 (2021).

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Dürr, H.A., R. Ernstorfer and B.J. Siwick: Revealing momentum-dependent electron–phonon and phonon–phonon coupling in complex materials with ultrafast electron diffuse scattering. MRS Bulletin 46 (8), 731–737 (2021).

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Dutta, A., J. Vreeken, L.M. Ghiringhelli and T. Bereau: Data-driven equation for drug-membrane permeability across drugs and membranes. The Journal of Chemical Physics 154 (24), 244114 (2021).

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Dutta, A., J. Vreeken, L.M. Ghiringhelli and T. Bereau: Publisher's Note: "Data-driven equation for drug-membrane permeability across drugs and membranes" [J. J. chem. Phys. 154, 244114 (2021)]. The Journal of Chemical Physics 155 (3), 039901 (2021).

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Ertl, G.: Catalysis is a kinetic phenomenon: The legacy of Michel Boudart. Journal of Catalysis, in press.

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Fan, H., J.M. Folke, Z. Liu, F. Girgsdies, R. Imlau, H. Ruland, S. Heumann, J. Granwehr, R.-A. Eichel, R. Schlögl, E. Frei and X. Huang: Ultrathin 2D Fe-Nanosheets Stabilized by 2D Mesoporous Silica: Synthesis and Application in Ammonia Synthesis. ACS Applied Materials and Interfaces 13 (25), 30187–30197 (2021).

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Fehre, K., N.M. Novikovskiy, S. Grundmann, G. Kastirke, S. Eckart, F. Trinter, J. Rist, A. Hartung, D. Trabert, C. Janke, G. Nalin, M. Pitzer, S. Zeller, F. Wiegandt, M. Weller, M. Kircher, M. Hofmann, L.P.H. Schmidt, A. Knie, A. Hans, L.B. Ltaief, A. Ehresmann, R. Berger, H. Fukuzawa, K. Ueda, H. Schmidt-Böcking, J.B. Williams, T. Jahnke, R. Dörner, M.S. Schöffler and P.V. Demekhin: Fourfold Differential Photoelectron Circular Dichroism. Physical Review Letters 127 (10), 103201 (2021).

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Fehre, K., M. Pitzer, F. Trinter, R. Berger, A. Schießer, H. Schmidt-Böcking, R. Dörner and M.S. Schöffler: Closed-loop recycling of rare liquid samples for gas-phase experiments. Review of Scientific Instruments 92 (2), 023205 (2021).

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Ferrari, P., H.T. Pham, J. Vanbuel, M.T. Nguyen, A. Fielicke and E. Janssens: An octacoordinated Nb atom in the NbAl₈H₈⁺ cluster. Chemical Communications 57 (75), 9518–9521 (2021).

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Fidanyan, K., I. Hamada and M. Rossi: Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111). Advanced Theory and Simulations 4 (4), 2000241 (2021).

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Folke , J., K. Dembélé, F. Girgsdies, H. Song, R. Eckert, S. Reitmeier, A. Reitzmann, R. Schlögl, T. Lunkenbein and H. Ruland: Promoter effect on the reduction behavior of wuestite-based catalysts for ammonia synthesis. Catalysis Today, in press.

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Foppa, L. and L.M. Ghiringhelli: Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis, in press.

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Foppa, L., L.M. Ghiringhelli, F. Girgsdies, M. Hashagen, P. Kube, M. Hävecker, S. Carey, A. Tarasov, P. Kraus, F. Rosowski, R. Schlögl, A. Trunschke and M. Scheffler: Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin, in press.

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Friedrich, B.: A paramount problem solved at last: Paramagnetic catalysis of ortho-para hydrogen conversion. Natural Sciences 1 (1), e10004 (2021).

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