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