Publications

Fritz Haber Institute of the Max Planck Society

Journal Article (8654)

2022

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Wang, H., C.O. Ogolla, G. Panchal, M. Hepp, S. Delacroix, D. Cruz, D. Kojda, J. Ciston, C. Ophus, A. Knop-Gericke, K. Habicht, B. Butz and V. Strauss: Flexible CO₂ sensor architecture with selective nitrogen functionalities by one-step laser-induced conversion of versatile organic ink. Advanced Functional Materials 32 (51), 2207406 (2022).

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Wang, W., M. Favaro, E. Chen, L. Trotochaud, H. Bluhm, K.-S. Choi, R. van de Krol, D.E. Starr and G. Galli: Influence of Excess Charge on Water Adsorption on the BiVO₄(010) Surface. Journal of the American Chemical Society 114 (37), 17173–17185 (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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Wang, Y., F. Rosowski, R. Schlögl and A. Trunschke: Oxygen Exchange on Vanadium Pentoxide. Journal of Physical Chemistry C 126 (7), 3443–3456 (2022).

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Waßerroth, S., G. Gordeev, S. Juergensen and P. Kusch: Exploiting plasmonic enhancement with light-emitting diode excitation in surface-enhanced Raman scattering. Journal of Raman Spectroscopy 53 (8), 1380–1385 (2022).

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Wengert, S., G. Csányi, K. Reuter and J. Margraf: A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings. Journal of Chemical Theory and Computation 18 (7), 4586–4593 (2022).

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Windsor, Y.W., S.-E. Lee, D. Zahn, V. Borisov, D. Thonig, K. Kliemt, A. Ernst, C. Schüßler-Langeheine, N. Pontius, U. Staub, C. Krellner, D.V. Vyalikh, O. Eriksson and L. Rettig: Exchange scaling of ultrafast angular momentum transfer in 4ƒ antiferromagnets. Nature Materials 21 (5), 514–517 (2022).

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Wu, K.-H., Y. Liu, X. Tan, Y. Liu, Y. Lin, X. Huang, Y. Ding, B.-J. Su, B. Zhang, J.-M. Chen, W. Yan, S. C.Smith, I.R. Gentle and S. Zhao: Regulating electron transfer over asymmetric low-spin Co(II) for highly selective electrocatalysis. Chem Catalysis 2 (2), 372–385 (2022).

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Xu, W., K. Reuter and M. Andersen: Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation. Nature Computational Science 2 (7), 443–450 (2022).

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Yang, Z., L. Gura, F. Kalass, P. Marschalik, M. Brinker, W. Kirstädter, J. Hartmann, G. Thielsch, H. Junkes, M. Heyde and H.-J. Freund: A high-speed variable-temperature ultrahigh vacuum scanning tunneling microscope with spiral scan capabilities. Review of Scientific Instruments 93 (5), 053704 (2022).

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Yoon, A., J. Poon, P. Grosse, S.W. Chee and B. Roldan Cuenya: Iodide-mediated Cu catalyst restructuring during CO₂ electroreduction. Journal of Materials Chemistry A 10 (26), 14041–14050 (2022).

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Yue, W., Q. Wei, S. Kais, B. Friedrich and D. Herschbach: Realization of Heisenberg models of spin systems with polar molecules in pendular states. Physical Chemistry Chemical Physics 24 (41), 25270–25278 (2022).

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Yue, Y., G. Melani, H. Kirsch, A. Paarmann, P. Saalfrank, R.K. Campen and Y. Tong: Structure and Reactivity of α-Al₂O₃(0001) Surfaces: How Do Al-I and Gibbsite-like Terminations Interconvert? The Journal of Physical Chemistry C 126 (31), 13467–13476 (2022).

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Zahn, D., F. Jakobs, H. Seiler, T.A. Butcher, D. Engel, J. Vorberger, U. Atxitia, Y.W. Windsor and R. Ernstorfer: Intrinsic energy flow in laser-excited 3d ferromagnets. Physical Review Research 4 (1), 013104 (2022).

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Zeininger, J., P. Winkler, M. Raab, Y. Suchorski, M. Prieto, L.C. Tanase, L.de S. Caldas, A. Tiwari, T. Schmidt, M. Stöger-Pollach, A. Steiger-Thirsfeld, B. Roldan Cuenya and G. Rupprechter: Pattern Formation in Catalytic H₂ Oxidation on Rh: Zooming in by Correlative Microscopy. ACS Catalysis 12 (19), 11974–11983 (2022).

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Zeradjanin, A.R., P. Narangoda, J. Masa and R. Schlögl: What Controls Activity Trends of Electrocatalytic Hydrogen Evolution Reaction?-Activation Energy Versus Frequency Factor. ACS Catalysis 12 (18), 11597–11605 (2022).

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Zhang, D., H. Li, A. Riaz, A. Sharma, W. Liang, Y. Wang, H. Chen, K. Vora, D. Yan, Z. Su, A. Tricoli, C. Zhao, F.J. Beck, K. Reuter, K. Catchpole and S. Karuturi: Unconventional direct synthesis of Ni₃N/Ni with N-vacancies for efficient and stable hydrogen evolution. Energy & Environmental Science 15 (1), 185–195 (2022).

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Zhang, H., T. Pincelli, C. Jozwiak, T. Kondo, R. Ernstorfer, T. Sato and S. Zhou: Angle-resolved photoemission spectroscopy. Nature Reviews Methods Primers 2, 54 (2022).

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Zhong, J.-Q. and H.-J. Freund: Two-Dimensional Ultrathin Silica Films. Chemical Reviews 122 (13), 11172–11246 (2022).

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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).

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Zhou, M., Y. Xu, G. Luo, Q. Zhang, L. Du and Z. Li: Removal of elemental mercury from coal combustion flue gas using bentonite modified with Ce-Fe binary oxides. Applied Surface Science 590, 153090 (2022).

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Zhou, X., Y. Wei, M.T. Kühbach, H. Zhao, F. Vogel, R.D. Kamachali, G.B. Thompson, D. Raabe and B. Gault: Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data. Acta Materialia 226, 117633 (2022).

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Zhou, Y., C. Zhu, M. Scheffler and L.M. Ghiringhelli: Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100). Physical Review Letters 128 (24), 246101 (2022).

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Zschech, E., E. Topal, K. Kutukova, J. Gluch, M. Löffler, S. Werner, P. Guttmann, G. Schneider, Z. Liao and J. Timoshenko: Multi-scale microscopy study of 3D morphology and structure of MoNi₄/MoO₂@Ni electrocatalytic systems for fast water dissociation. Micron 158, 103262 (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 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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