Publikationen des Fritz-Haber-Instituts (2001-)

Zeitschriftenartikel (6768)

2022
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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 und 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 und 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 und 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
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Abdelbaki, Y., A. de Arriba, B. Solsona, D. Delgado, E. García-González, R. Issadi und 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 und 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 und 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 und 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 und X. Yang: OPTIMADE, an API for exchanging materials data. Scientific Data 8, 217 (2021).
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Andersen, M. und 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 und 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 und 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 und 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 und 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 und 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 und 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. und 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 und 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 und R. Valenti: The 2021 Room-Temperature Superconductivity Roadmap. Journal of Physics: Condensed Matter, im Druck.
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Boydas, E.B., B. Winter, D. Batchelor und 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 und 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 und 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 und 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 und 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).
Zeitschriftenartikel
Calati, S., Q. Li, X. Zhu und 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 und 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 und B. Roldan Cuenya: Understanding Structure-Property Relationships in Nanoparticle Electrocatalysts through Correlated Electron Microscopies. Microscopy and Microanalysis 27 (Supplement S1), 52–53 (2021).
Zeitschriftenartikel
Chen, C., L. Fang, G. Zhao, X. Liu, J. Wang, L.A. Burton, Y. Zhang und W. Ren: A high-temperature quantum anomalous Hall effect in electride gadolinium monohalides. Journal of Materials Chemistry C 9 (30), 9539–9544 (2021).
Zeitschriftenartikel
Chen, Z., N. Andrejevic, N. Drucker, T. Nguyen, R.P. Xian, T. Smidt, Y. Wang, R. Ernstorfer, A. Tennant, M. Chan und 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 und B. Winter: Quantitative electronic structure and work-function changes of liquid water induced by solute. Physical Chemistry Chemical Physics, im Druck.
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Cretu, M.T. und 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 und S. Zhang: Enhanced mercury removal performance of Cu-Fe binary oxide sorbents modified by non-thermal plasma. Chemical Engineering Journal 425, 131851 (2021).
Zeitschriftenartikel
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 und 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 und S. Heumann: Tuning of Reciprocal Carbon-Electrode Properties for an Optimized Hydrogen Evolution. ChemSusChem 14 (12), 2547–2553 (2021).
Zeitschriftenartikel
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 und 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 und 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 und 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 und 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 und 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).
Zeitschriftenartikel
Dutta, A., J. Vreeken, L.M. Ghiringhelli und 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 und 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, im Druck.
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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 und 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 und 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 und 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 und 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 und 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 und H. Ruland: Promoter effect on the reduction behavior of wuestite-based catalysts for ammonia synthesis. Catalysis Today, im Druck.
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Foppa, L. und L.M. Ghiringhelli: Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis, im Druck.
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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 und M. Scheffler: Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin, im Druck.
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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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