Fritz Haber Institute of the Max Planck Society

Publications by the Fritz Haber Institute (2001-)

Journal Article (272)

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 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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Ament, K., D.R. Wagner, T. Götsch, T. Kikuchi, J. Kröhnert, A. Trunschke, T. Lunkenbein, T. Sasaki and J. Breu: Enhancing the Catalytic Activity of Palladium Nanoparticles via Sandwich-Like Confinement by Thin Titanate Nanosheets. ACS Catalysis 11 (5), 2754–2762 (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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Andres, B., S.-E. Lee and M. Weinelt: The role of spin-lattice coupling for ultrafast changes of the magnetic order in rare earth metals. Applied Physics Letters 119 (18), 182404 (2021).

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Anniés, S., C. Panosetti, M. Voronenko, D. Mauth, C. Rahe and C. Scheurer: Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials 14 (21), 6633 (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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Bartl, J.D., C. Thomas, A. Henning, M.F. Ober, G. Savasci, B. Yazdanshenas, P.S. Deimel, E. Magnano, F. Bondino, P. Zeller, L. Gregoratti, M. Amati, C. Paulus, F. Allegretti, A. Cattani-Scholz, J.V. Barth, C. Ochsenfeld, B. Nickel, I.D. Sharp, M. Stutzmann and B. Rieger: Modular Assembly of Vibrationally and Electronically Coupled Rhenium Bipyridine Carbonyl Complexes on Silicon. Journal of the American Chemical Society 143 (46), 19505–19516 (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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Beaulieu, S., M. Schüler, J. Schusser, S. Dong, T. Pincelli, J. Maklar, A. Neef, F. Reinert, M. Wolf, L. Rettig, J. Minár and R. Ernstorfer: Unveiling the orbital texture of 1T-TiTe₂ using intrinsic linear dichroism in multidimensional photoemission spectroscopy. npj Quantum Materials 6 (1), 93 (2021).

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Berdonces-Layunta, A., F. Schulz, F. Aguilar-Galindo, J. Lawrence, M.S.G. Mohammed, M. Muntwiler, J. Lobo-Checa, P. Liljeroth and D.G. de Oteyza: Order from a Mess: The Growth of 5‑Armchair Graphene Nanoribbons. ACS Nano 15 (10), 16552–16561 (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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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. Draxl, 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. Draxl, 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 (2), 029903 (2021).

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Bukhtiyarov, A.V., I.P. Prosvirin, M.A. Panafidin, A.Y. Fedorov, A. Klyushin, A. Knop-Gericke, Y.V. Zubavichus and V.I. Bukhtiyarov: Near-Ambient Pressure XPS and MS Study of CO Oxidation over Model Pd-Au/HOPG Catalysts: The Effect of the Metal Ratio. Nanomaterials 11 (12), 3292 (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 (S1), 52–53 (2021).

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Chekhov, A., Y. Behovits, J. Heitz, C. Denker, D.A. Reiss, M. Wolf, M. Weinelt, P.W. Brouwer, M. Münzenberg and T. Kampfrath: Ultrafast Demagnetization of Iron Induced by Optical versus Terahertz Pulses. Physical Review X 11 (4), 041055 (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 scattering and spectroscopies. Chemical Physics Reviews 2 (3), 031301 (2021).

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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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Damjanovic, T., S. Willitsch, N. Vanhaecke, H. Haak, G. Meijer, J.-P. Cromiéres and D. Zhang: A new design for a traveling-wave Zeeman decelerator: I. Theory. New Journal of Physics 23 (10), 105006 (2021).

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Damjanovic, T., S. Willitsch, N. Vanhaecke, H. Haak, G. Meijer, J.-P. Cromiéres and D. Zhang: A new design for a traveling-wave Zeeman decelerator: II. Experiment. New Journal of Physics 23 (10), 105007 (2021).

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Dávila López, A., T. Eggert, K. Reuter and N. Hörmann: Static and dynamic water structures at interfaces: A case study with focus on Pt(111). The Journal of Chemical Physics 155 (19), 194702 (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.W. 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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Dreyer, M., D. Cruz, U. Hagemann, P. Zeller, M. Heidelmann, S. Salamon, J. Landers, A. Rabe, K.F. Ortega, S. Najafishirtari, H. Wende, N. Hartmann, A. Knop-Gericke, R. Schlögl and M. Behrens: The Effect of Water on the 2-Propanol Oxidation Activity of Co-Substituted LaFe₁₋Co_xO₃ Perovskites. Chemistry – A European Journal 27 (68), 17127–17144 (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 404, 985–986 (2021).

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Evans, M.L., C.W. Andersen, S. Dwaraknath, M. Scheidgen, Á. Fekete and D. Winston: optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs. The Journal of Open Source Software 6 (65), 3458 (2021).

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Falling, L., J. Velasco Vélez, R. Mom, A. Knop-Gericke, R. Schlögl, D. Teschner and T. Jones: The ladder towards understanding the oxygen evolution reaction. Current Opinion in Electrochemistry 30, 100842 (2021).

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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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