Publications by the Fritz Haber Institute (2001-)

Journal Article (7216)

2022
Journal Article
Akay, Ö., J. Poon, C. Robertson, F.F. Abdi, B. Roldan Cuenya, M. Giersig and K. Brinkert: Releasing the Bubbles: Nanotopographical Electrocatalyst Design for Efficient Photoelectrochemical Hydrogen Production in Microgravity Environment. Advanced Science 2105380 (2022).
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 24 (3), 1310–1325 (2022).
Journal Article
Daems, N., D. Choukroun, P. Merino, C. Rettenmaier, L. Pacquets, A. Bergmann, G. Santoro, L. Vázquez, L. Martínez, B. Roldan Cuenya, J.A. Martín Gago and T. Breugelmans: Steering Hydrocarbon Selectivity in CO2 Electroreduction over Soft-Landed CuOx Nanoparticle-Functionalized Gas Diffusion Electrodes. ACS Applied Materials and Interfaces 14 (2), 2691–2702 (2022).
Journal Article
Govindarajan, N., G. Kastlunger, H. Heenen and K. Chan: Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go? Chemical Science 13 (1), 14–26 (2022).
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Greis, K., C. Kirschbaum, G.von Helden and K. Pagel: Gas-phase infrared spectroscopy of glycans and glycoconjugates. Current Opinion in Structural Biology 72, 194–202 (2022).
Journal Article
Hejral, U., J. Timoshenko, D. Kordus, M. Lopez-Luna, N.J. Divins, S. Widrinna, I. Zegkinoglou, L. Pielsticker, H. Mistry, J.A. Boscoboinik, S. Kühl and B. Roldan: Tracking the phase changes in micelle-based NiGa nanocatalysts for methanol synthesis under activation and working conditions. Journal of Catalysis 405, 183–198 (2022).
Journal Article
Junker, B., M. Favaro, D.E. Starr, M. Hävecker, U. Weimar and N. Barsan: NAP-XPS as a new tool for in-situ studies of SMOX gas sensors. Journal of Physics D: Applied Physics 55 (6), 064002 (2022).
Journal Article
Karslıoğlu, O., L. Trotochaud, F. Salmassi, E.M. Gullikson, A. Shavorskiy, S. Nemšák and H. Bluhm: Prospects for the expansion of standing wave ambient pressure photoemission spectroscopy to reactions at elevated temperatures. Journal of Vacuum Science and Technology A 40 (1), 013207 (2022).
Journal Article
Levin, N., J. Margraf, J. Lengyel, K. Reuter, M. Tschurl and U. Heiz: CO2-Activation by size-selected tantalum cluster cations (Ta1–16+): thermalization governing reaction selectivity. Physical Chemistry Chemical Physics, in press.
Journal Article
Li, X., A. Rudenko, M.S. Schöffler, N. Anders, T.M. Baumann, S. Eckart, B. Erk, A.D. Fanis, K. Fehre, R. Dörner, L. Foucar, S. Grundmann, P. Grychtol, A. Hartung, M. Hofmann, M. Ilchen, C. Janke, G. Kastirke, M. Kircher, K. Kubicek, M. Kunitski, T. Mazza, S. Meister, N. Melzer, J. Montano, V. Music, G. Nalin, Y. Ovcharenko, C. Passow, A. Pier, N. Rennhack, J. Rist, D.E. Rivas, I. Schlichting, L.P.H. Schmidt, P. Schmidt, J. Siebert, N. Strenger, D. Trabert, F. Trinter, I. Vela-Perez, R. Wagner, P. Walter, M. Weller, P. Ziolkowski, A. Czasch, D. Rolles, M. Meyer, T. Jahnke and R. Boll: Coulomb explosion imaging of small polyatomic molecules with ultrashort x-ray pulses. Physical Review Research 4 (1), 013029 (2022).
Journal Article
Li, Z., R. Zou, Y. Xu, Y. Fang, G. Luo and H. Yao: Characterization of in-situ and cooling char from ten typical Chinese coals. Combustion and Flame 238, 111884 (2022).
Journal Article
Malerz, S., H. Haak, F. Trinter, A.B. Stephansen, C. Kolbeck, M.N. Pohl, U. Hergenhahn, G. Meijer and B. Winter: A setup for studies of photoelectron circular dichroism from chiral molecules in aqueous solution. Review of Scientific Instruments 93 (1), 015101 (2022).
Journal Article
Ott, S., F. Du, M. Lopez-Luna, T.A. Dao, S. Selve, B. Roldan Cuenya, A. Orfanidi and P. Strasser: Property-Reactivity Relations of N-doped PEM Fuel Cell Cathode Catalyst Supports. Applied Catalysis B 121118 (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).
Journal Article
Reiter, F., M. Pielmeier, A. Vogel, C. Jandl, M. Plodinec, C. Rohner, T. Lunkenbein, K. Nisi, A. Holleitner and T. Nilges: SnBrP-A SnIP-type representative in the Sn-Br-P system. Zeitschrift für anorganische und allgemeine Chemie e202100347 (2022).
Journal Article
Schewe, H.C., K. Brezina, V. Kostal, P.E. Mason, T. Buttersack, D. Stemer, R. Seidel, W. Quevedo, F. Trinter, B. Winter and P. Jungwirth: Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia. The Journal of Physical Chemistry B 126 (1), 229–238 (2022).
Journal Article
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).
Journal Article
Velasco Vélez, J., Y.-Y. Chin, M.-H. Tsai, O.J. Burton, R. Wang, S. Hofmann, W.-H. Hsu, T. Ohigashi, W.-F. Pong and C.-H. Chuang: Evidence of synergistic electrocatalysis at a cobalt oxide–graphene interface through nanochemical mapping of scanning transmission X-ray microscopy. Chinese Journal of Physics 76, 135–144 (2022).
Journal Article
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).
Journal Article
Zhou, M., Y. Xu, G. Luo, Q. Zhang, L. Du, X. Cui and Z. Li: Facile synthesis of phosphorus-doped porous biochars for efficient removal of elemental mercury from coal combustion flue gas. Chemical Engineering Journal 432, 134440 (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).
Journal Article
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).
Journal Article
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
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).
Journal Article
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).
Journal Article
Arrigo, R., R. Blume, V. Streibel, C. Genovese, A. Roldan, M.E. Schuster, C. Ampelli, S. Perathoner, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke, R. Schlögl and G. Centi: Dynamics at Polarized Carbon Dioxide–Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation. ACS Catalysis 2022 (12), 411–430 (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).
Journal Article
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
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).
Journal Article
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).
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).
Journal Article
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).
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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).
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).
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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), 041055–1-041055–16 (2021).
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