Publications | Fritz Haber Institute of the Max Planck Society

Fritz Haber Institute of the Max Planck Society

Journal Article (8366)

2024

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Schneider, P.M., K.L. Kollmannsberger, C. Cesari, R. Khare, M. Boniface, B. Roldan Cuenya, T. Lunkenbein, M. Elsner, S. Zacchini, A.S. Bandarenka, J. Warnan and R.A. Fischer: Engineering ORR Electrocatalysts from Co₈Pt₄ Carbonyl Clusters via ZIF-8 Templating. ChemElectroChem 11 (5), e202300476 (2024).

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Tanda Bonkano, B., S. Palato, J. Krumland, S. Kovalenko, P. Schwendke, M. Guerrini, Q. Li, X. Zhu, C. Cocchi and J. Stähler: Evidence for Hybrid Inorganic–Organic Transitions at the WS₂/Terrylene Interface. Physica Status Solidi A 221 (1), 230034 (2024).

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Velasco Vélez, J., D. Bernsmeier, R. Mom, P. Zeller, Y. Shao-Horn, B. Roldan Cuenya, A. Knop-Gericke, R. Schlögl and T. Jones: Iridium Oxide Coordinatively Unsaturated Active Sites Govern the Electrocatalytic Oxidation of Water. Advanced Energy Materials 2303407 (2024).

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Vijay, S., H. Heenen, A.R. Singh, K. Chan and J. Voss: Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models. Journal of Computational Chemistry 45 (9), 546–551 (2024).

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Walter, N., M. Doppelbauer, S. Schaller, X. Liu, R. Thomas, S. Wright, B.G. Sartakov and G. Meijer: Triplet Rydberg States of Aluminum Monofluoride. The Journal of Physical Chemistry A, in press.

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Wang, W., X. Liu and J. Pérez-Rios: AlF–AlF Reaction Dynamics between 200 K and 1000 K: Reaction Mechanisms and Intermediate Complex Characterization. Molecules 29 (1), 222 (2024).

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Wang, Y., M. Mirahmadi and J. Pérez-Ríos: On the role of non-additive interactions in three-body recombination. Physical Chemistry Chemical Physics 26 (9), 7264–7268 (2024).

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Weiss, T., A. Baklanov, G.S. Michelitsch, K. Reuter, M. Schwarz, M. Garnica and W. Auwärter: Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (2024).

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Wu, H., L. Huang, J. Timoshenko, K. Qi, W. Wang, J. Liu, Y. Zhang, S. Yang, E. Petit, V. Flaud, J. Li, C. Salameh, P. Miele, L. Lajaunie, B. Roldan Cuenya, D. Rao and D. Voiry: Selective and energy-efficient electrosynthesis of ethylene from CO₂ by tuning the valence of Cu catalysts through aryl diazonium functionalization. Nature Energy, in press.

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Xu, W., E. Diesen, T. He, K. Reuter and J. Margraf: Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11), 7698–7707 (2024).

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Yue, S., Q. Li, C. Zeng, A. Klyushin, R. Farra, M.G. Willinger and X. Huang: Structural and chemical transformations of CuZn alloy nanoparticles under reactive redox atmospheres: an in situ TEM study. Nano Research, in press.

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Zhang, P., J. Fan, Y. Wang, Y. Dang, S. Heumann and Y. Ding: Insights into the role of defects on the Raman spectroscopy of carbon nanotube and biomass-derived carbon. Carbon 222, 118998 (2024).

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2023

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Abou-Ras, D., U. Bloeck, S. Caicedo-Dávila, A. Eljarrat, H. Funk, A. Hammud, S. Thomas, D.R. Wargulski, T. Lunkenbein and C.T. Koch: Correlative microscopy and monitoring of segregation processes in optoelectronic semiconductor materials and devices. Journal of Applied Physics 133 (12), 121101 (2023).

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Abramiuc, L.E., L.C. Tanase, M. Prieto, L.de S. Caldas, A. Tiwari, N.G. Apostol, M.A. Huşanu, C.F. Chirilă, L. Trupină, T. Schmidt, L. Pintilie and C.M. Teodorescu: Surface charge dynamics on air-exposed ferroelectric Pb(Zr,Ti)O₃(001) thin films. Nanoscale 15 (31), 13062–13075 (2023).

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Ali, H., B. Winter and R. Seidel: The Metal-Oxide Nanoparticle-Aqueous Solution Interface Studied by Liquid-Microjet Photoemission. Accounts of Chemical Research 56 (13), 1687–1697 (2023).

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Almalla, A., L. Elomaa, L. Bechtella, A. Daneshgar, P. Yavvari, Z. Mahfouz, P. Tang, B. Koksch, I. Sauer, K. Pagel, K.H. Hillebrandt and M. Weinhart: Papain-Based Solubilization of Decellularized Extracellular Matrix for the Preparation of Bioactive, Thermosensitive Pregels. Biomacromolecules 24 (12), 5620–5637 (2023).

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Amirbeigiarab, R., J. Tian , A. Herzog, C. Qiu, A. Bergmann, B. Roldan Cuenya and O.M. Magnussen: Atomic-scale surface restructuring of copper electrodes under CO₂ electroreduction conditions. Nature Catalysis 6 (9), 837–846 (2023).

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Angel, S., M. Braun, B. Alkan, J. Landers, S. Salamon, H. Wende, C. Andronescu, C. Schulz and H. Wiggers: Spray-Flame Synthesis of LaFe_xCo_1-xO₃ (x = 0.2, 0.3) Perovskite Nanoparticles for Oxygen Evolution Reaction in Water Splitting: Effect of Precursor Chemistry (Acetates and Nitrates). The Journal of Physical Chemistry A 127 (11), 2564–2576 (2023).

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Anníes, S., C. Scheurer and C. Panosetti: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023).

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Antonyshyn, I., O. Sichevych, U. Burkhardt, A.M.B. Jiménez, A. Melendez-Sans, Y.-F. Liao, K.-D. Tsuei, D. Kasinathan, D. Takegami and A. Ormeci: Al-Pt intermetallic compounds: HAXPES study. Physical Chemistry Chemical Physics 25 (45), 31137–31145 (2023).

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Balos, V., M. Wolf, S. Kovalev and M. Sajadi: Optical rectification and electro-optic sampling in quartz. Optics Express 31 (8), 13317 (2023).

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Barreto, J., N. Nilius, H. Tissot, S.K. Shaikhutdinov, H.-J. Freund and F. Stavale: Interaction of water and carbon monoxide with MnO(001) thin films on Au(111). Physical Chemistry Chemical Physics 25 (43), 29808–29815 (2023).

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Bechtella, L. and K. Pagel: A butterfly effect: From a single nucleotide to altered immunity. Chem 9 (3), 554–556 (2023).

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Behovits, Y., A. Chekhov, S.Y. Bodnar, O. Gückstock, S. Reimers, Y. Lytvynenko, Y. Skourski, M. Wolf, T. Seifert, O. Gomonay, M. Kläui, M. Jourdan and T. Kampfrath: Terahertz Néel spin-orbit torques drive nonlinear magnon dynamics in antiferromagnetic Mn₂Au. Nature Communications 14, 6038 (2023).

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Beinlich, S., G. Kastlunger, K. Reuter and N. Hörmann: Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 19 (22), 8323–8331 (2023).

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Bergmann, N., N. Hörmann and K. Reuter: Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions. Journal of Chemical Theory and Computation 19 (23), 8815–8825 (2023).

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Beynon, O.T., A. Owens, C. Carbogno and A.J. Logsdail: Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials. The Journal of Physical Chemistry C 127 (32), 16030–16040 (2023).

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Biswajit, M., A. Jana, J. Roy, A.C. Mata, A.S. Nair, A. Mahendranath, S. Roy, B. Pathak, P.M. Ajayan and T. Pradeep: Structure and Electrocatalytic Performance of Cocrystallized Ternary Molybdenum Oxosulfide Clusters for Efficient Water Splitting. ACS Materials Letters 5 (12), 3306–3315 (2023).

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Blume, R., W. Calvet, A. Ghafari, T. Mayer, A. Knop-Gericke and R. Schlögl: Structural and Chemical Properties of NiOx Thin Films: Oxygen Vacancy Formation in O₂ Atmosphere. ChemPhysChem 24 (23), e202300231 (2023).

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Blume, R., W. Wolfram, A. Ghafari, T. Mayer, A. Knop-Gericke and R. Schlögl: Structural and chemical properties of NiO_x thin films: the role of oxygen vacancies in NiOOH formation in a H₂O atmosphere. Physical Chemistry Chemical Physics 25 (37), 25552–25565 (2023).

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Bonati , L., D. Polino, C. Pizzolitto, P. Biasi, R. Eckert, S. Reitmeier, R. Schlögl and M. Parrinello: The role of dynamics in heterogeneous catalysis: Surface diffusivity and N₂ decomposition on Fe(111). Proceedings of the National Academy of Sciences of the United States of America 120 (50), e231302312 (2023).

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Bude, R., I. Verschueren, I. Florea, J.-L. Maurice, P. Legagneux, L.M.C. Pereira, H. Bana, R. Villarreal, R. Blume, A. Knop-Gericke, T. Jones and D. Pribat: Synthesis of Few-Layered Transition-Metal Dichalcogenides by Ion Implantation of Chalcogen and Metal Species into Sapphire. ACS Omega 8 (32), 29475–29484 (2023).

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Buttersack, T., H. Haak, H. Bluhm, U. Hergenhahn, G. Meijer and B. Winter: Imaging temperature and thickness of thin planar liquid water jets in vacuum. Structural Dynamics 10 (3), 034901 (2023).

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Calati, S., Q. Li, X. Zhu and J. Stähler: Dynamic screening of quasiparticles in WS₂ monolayers. Physical Review B 107 (11), 115404 (2023).

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Carbonio, E., F. Sulzmann, A. Klyushin, M. Hävecker, S. Piccinin, A. Knop-Gericke, R. Schlögl and T. Jones: Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl. ACS Catalysis 13 (9), 5906–5913 (2023).

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Chee, S.W., T. Lunkenbein, R. Schlögl and B. Roldan Cuenya: Operando Electron Microscopy of Catalysts: The Missing Cornerstone in Heterogeneous Catalysis Research? Chemical Reviews 123 (23), 13374–13418 (2023).

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Chen, K., C. Kunkel, B. Cheng, K. Reuter and J. Margraf: Physics-inspired machine learning of localized intensive properties. Chemical Science 14 (18), 4913–4922 (2023).

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Chen, Z., X. Wang, Z.-K. Han, S. Zhang, S. Pollastri, Q. Fan, Z. Qu, D. Sarker, C. Scheu, M. Huang and H. Cölfen: Aufdeckung des Entstehungsmechanismus und Optimierung der Synthesebedingungen von geschichteten Doppelhydroxiden für die Sauerstoffentwicklungsreaktion. Angewandte Chemie 135 (10), e202215728 (2023).

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Chen, Z., X. Wang, Z.-K. Han, S. Zhang, S. Pollastri, Q. Fan, Z. Qu, D. Sarker, C. Scheu, M. Huang and H. Cölfen: Revealing the Formation Mechanism and Optimizing the Synthesis Conditions of Layered Double Hydroxides for the Oxygen Evolution Reaction. Angewandte Chemie International Edition 62 (10), e202215728 (2023).

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Cheng, R., X. Shen, S. Klotz, Z. Zeng, Z. Li, A. Ivanov, Y. Xiao, L.-D. Zhao, F. Weber and C. Yue: Lattice dynamics and thermal transport of PbTe under high pressure. Physical Review B 108 (10), 104306 (2023).

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Christiansen, D., M. Selig, M. Rossi and A. Knorr: Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors. Physical Review B 107 (4), L041401 (2023).

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Davis, E., A. Bergmann, C. Zhan, H. Kuhlenbeck and B. Roldan Cuenya: Comparative study of Co₃O₄(111), CoFe₂O₄(111), and Fe₃O₄(111) thin film electrocatalysts for the oxygen evolution reaction. Nature Communications 14, 4791 (2023).

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de Luna, G.S., T. Tommaso, J. Velasco Vélez, E. Monti, F. Ospitali, S. Albonetti, F. Cavani, G. Fornasari and P. Benito: Electrification of glucose valorization over NiO/Ni foam. Sustainable Energy & Fuels 7 (18), 4474–4485 (2023).

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de Luna, G.S., P. Zeller, E. Öztuna, F. Maluta, A. Canciani, F. Ospitali, P.H. Ho, A. Paglianti, A. Knop-Gericke, G. Fornasari, J. Velasco Vélez and P. Benito: In Situ Development of a 3D Cu-CeO₂ Catalyst Selective in the Electrocatalytic Hydrogenation of Biomass Furanic Compounds. ACS Catalysis 13 (19), 12737–12745 (2023).

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Dean, J., M. Scheffler, T. Purcell, S.V. Barabash, R. Bhowmik and T. Bazhirov: Interpretable Machine Learning for Materials Design. Journal of Materials Research 38 (20), 4477–4496 (2023).

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Deka, N., T.E. Jones, L.J. Falling, L. Sandoval Diaz, T. Lunkenbein, J.-J. Velasco-Velez, T.-S. Chan, C.-H. Chuang, A. Knop-Gericke and R.V. Mom: On the Operando Structure of Ruthenium Oxides during the Oxygen Evolution Reaction in Acidic Media. ACS Catalysis 13 (11), 7488–7498 (2023).

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Demling, A., S.B. King, P. Shushkov and J. Stähler: O₂ Reduction at a DMSO/Cu(111) Model Battery Interface. The Journal of Physical Chemistry C 127 (6), 2894–2900 (2023).

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Diego, G., M.D. Higham, M.G. Quesne, M. Aramini, R. Xu, A.I. Large, G. Held, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke, C. Genovese, C. Ampelli, M.E. Schuster, S. Perathoner, G. Centi, C.R.A. Catlow and R. Arrigo: Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO₂ over C-Supported Cu-Based Systems. ACS Catalysis 13 (9), 5876–5895 (2023).

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Dong, S., S. Beaulieu, M. Selig, P. Rosenzweig, D. Christiansen, T. Pincelli, M.R. Dendzik, J.D. Ziegler, J. Maklar, R.P. Xian, A. Neef, A. Mohammed, A. Schulz, M. Stadler, M. Jetter, P. Michler, T. Taniguchi, K. Watanabe, H. Takagi, U. Starke, A. Chernikov, M. Wolf, H. Nakamura, A. Knorr, L. Rettig and R. Ernstorfer: Observation of ultrafast interfacial Meitner-Auger energy transfer in a van der Waals heterostructure. Nature Communications 14, 5057 (2023).

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Dortaj, S. and S. Matera: Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs-von Mises distance. The Journal of Chemical Physics 159 (9), 094110 (2023).

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