Publikationen des Fritz-Haber-Instituts (2001-)

Zeitschriftenartikel (200)

2024
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Aeschlimann, M., J.P. Bange, M. Bauer, U. Bovensiepen, H.-J. Elmers, T. Fauster, L. Gierster, U. Höfer, R. Huber, A. Li, X. Li, S. Mathias, K. Morgenstern, H. Petek, M. Reutzel, K. Rossnagel, G. Schönhense, M. Scholz, B. Stadtmüller, J. Stähler, S. Tan, B. Wang, Z. Wang und M. Weinelt: Time-resolved photoelectron spectroscopy at surfaces. Surface Science 753, 122631 (2024).
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Akkoush, A., Y. Litman und M. Rossi: A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers. Physica Status Solidi A 221 (1), 2300180 (2024).
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Alostaz, A., O. Gueckstock, J. Tong, J. Kredl, C. In, M. Münzenberg, C.M. Schneider, T. Kampfrath und T.S. Seifert: Tunable ultrabroadband hybrid terahertz emitter combining a spintronic and a GaSe source. Applied Physics Letters 125 (21), 212402 (2024).
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Álvarez-Cuervo, J., M. Obst, S. Dixit, G. Carini, A.I.F. Tresguerres-Mata, C. Lanza, E. Terán-García, G. Álvarez-Pérez, L.F. Álvarez-Tomillo, K. Diaz-Granados, R. Kowalski, A.S. Senerath, N.S. Müller, L. Herrer, J.M. De Teresa, S. Wasserroth, J.M. Klopf, T. Beechem, M. Wolf, L.M. Eng, T.G. Folland, A. Tarazaga Martín-Luengo, J. Martín-Sánchez, S.C. Kehr, A.Y. Nikitin, J.D. Caldwell, P. Alonso-González und A. Paarmann: Unidirectional ray polaritons in twisted asymmetric stacks. Nature Communications 15, 9042 (2024).
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Avila-Bolivar, B., M. Lopez Luna, F. Yang, A. Yoon, V. Montiel, J. Solla-Gullón, S.W. Chee und B. Roldan Cuenya: Revealing the Intrinsic Restructuring of Bi2O3 Nanoparticles into Bi Nanosheets during Electrochemical CO2 Reduction. ACS Applied Materials and Interfaces 16 (9), 11552–11560 (2024).
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Bagus, P.S. und H.-J. Freund: X-ray photoelectron spectroscopy as a useful tool to study surfaces and model systems for heterogeneous catalysts: A review and perspective. Surface Science 745, 122471 (2024).
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Bai, L., F. Franco, J. Timoshenko, C. Rettenmaier, F. Scholten, H. Jeon, A. Yoon, M. Rüscher, A. Herzog, F. Haase, S. Kühl, S.W. Chee, A. Bergmann und B. Roldan Cuenya: Electrocatalytic Nitrate and Nitrite Reduction toward Ammonia using Cu2O Nanocubes: Active Species and Reaction Mechanisms. Journal of the American Chemical Society 146 (14), 9665–9678 (2024).
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Barreau, M., D. Salusso, J. Zhang, M. Hävecker, D. Teschner, A. Efimenko, F. Bournel, J.-J. Gallet, E. Borfecchia, K. Sobczak, C. Petit und S. Zafeiratos : Uncovering the critical function of lanthanum in CH4 production from CO2 using exsolved LaNiO3 perovskite catalysts. Journal of Materials Chemistry A 12 (13), 7605–7621 (2024).
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Bashiri, N., G. Brösigke, E. Gioria, J. Schmidt, M. Konrad, R.L. Oliveira, M. Geske, F. Rosowski, S. Matera, R. Schomäcker, A. Thomas und J.-U. Repke: Core-Shell catalyst particles for tandem catalysis: An experimental/numerical approach towards optimal design. Chemical Engineering Journal 495, 153080 (2024).
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Bauer, S., P. Benner, T. Bereau, V. Blum, M. Boley, C. Carbogno, C.R.A. Catlow, G. Dehm, S. Eibl, R. Ernstorfer, A. Fekete, L. Foppa, P. Fratzl, C. Freysoldt, B. Gault, L.M. Ghiringhelli, S.K. Giri, A. Gladyshev, P. Goyal, J. Hattrick-Simpers, L. Kabalan, P. Karpov, M.S. Khorrami, C. Koch, S. Kokott, T. Kosch, I. Kowalec, K. Kremer, A. Leitherer, Y. Li, C.H. Liebscher, A.J. Logsdail, Z. Lu, F. Luong, A. Marek, F. Merz, J.R. Mianroodi, J. Neugebauer, Z. Pei, T. Purcell, D. Raabe, M. Rampp, M. Rossi, J.-M. Rost, J.E. Saal, U. Saalmann, K.N. Sasidhar, A. Saxena, L. Sbailo, M. Scheidgen, M. Schloz, D.F. Schmidt, S. Teshuva, A. Trunschke, Y. Wei, G. Weikum, R.P. Xian, Y. Yao, J. Yin, M. Zhao und M. Scheffler: Roadmap on data-centric materials science. Modelling and Simulation in Materials Science and Engineering 32 (6), 063301 (2024).
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Beaulieu, S., S. Dong, V. Christiansson, P. Werner, T. Pincelli, J.D. Ziegler, T. Taniguchi, K. Watanabe, A. Chernikov, M. Wolf, L. Rettig, R. Ernstorfer und M. Schüler: Berry curvature signatures in chiroptical excitonic transitions. Science Advances 10 (26), eadk3897 (2024).
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Bechtella, L., J. Chunsheng, K. Fentker, G.R. Ertürk, M. Safferthal, L. Polewski, M. Götze, S.Y. Graeber, G.M. Vos, W.B. Struwe, M.A. Mall, P. Mertins, N.G. Karlsson und K. Pagel: Ion mobility-tandem mass spectrometry of mucin-type O-glycans. Nature Communications 15, 2611 (2024).
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Bi, S., C. Carbogno, I.Y. Zhang und M. Scheffler: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. The Journal of Chemical Physics 160 (3), 034106 (2024).
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Bloß, D., F. Trinter, I. Unger, C. Zindel, C. Honisch, J. Viehmann, N. Kiefer, L. Marder, C. Küstner-Wetekam, E. Heikura, L.S. Cederbaum, O. Björneholm, U. Hergenhahn, A. Ehresmann und A. Hans: X-ray radiation damage cycle of solvated inorganic ions. Nature Communications 15, 4594 (2024).
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Buttersack, T., I. Gladich, S. Gholami, C. Richter, R. Dupuy, C. Nicolas, F. Trinter, A. Trunschke, D. Delgado Muñoz, P.C. Arroyo, E.A. Parmentier, B. Winter, B. Winter, L. Iezzi, A. Roose, A. Boucly, L. Artiglia, M. Ammann, R. Signorell und H. Bluhm: Direct observation of the complex S(IV) equilibria at the liquid-vapor interface. Nature Communications 15, 8987 (2024).
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Caldas, L.de S., M. Prieto, L.C. Tanase, A. Tiwari, T. Schmidt und B. Roldan Cuenya: Correlative In Situ Spectro-Microscopy of Supported Single CuO Nanoparticles: Unveiling the Relationships between Morphology and Chemical State during Thermal Reduction. ACS Nano 18 (21), 13714–13725 (2024).
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Carbonio, E., F. Sulzmann, D. Teschner, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke, R. Schlögl und T. Jones: Thermal synthesis of electron deficient oxygen species on crystalline IrO2. Catalysis Science & Technology 14 (3), 572–580 (2024).
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Chang, C.-W., K. Greis, G.R.D. Prabhu, D. Wehner, C. Kirschbaum, K. Ober, A.Y. Torres-Boy, S. Leichnitz, G. Meijer, G.von Helden, P.H. Seeberger und K. Pagel: Mechanistic insight into benzylidene-directed glycosylation reactions using cryogenic infrared spectroscopy. Nature Synthesis 3, 1377–1384 (2024).
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Chen, S., J. Jelic, D. Rein, S. Najafishirtari, F. Schmidt, F. Girgsdies, L. Kang, A. Wandzilak, A. Rabe, D.E. Doronkin, J. Wang, K.F. Ortega, S. DeBeer, J.-D. Grunwaldt, R. Schlögl, T. Lunkenbein, F. Studt und M. Behrens: Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications 15, 871 (2024).
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Cirera, B., S. Liu, Y. Park, I.H. Ikutaro Hamada, M. Wolf, A. Shiotari und T. Kumagai: Single-molecule tip-enhanced Raman spectroscopy of C60 on the Si(111)-(7x7) surface. Physical Chemistry Chemical Physics 26 (32), 21325–21331 (2024).
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Credidio, B., S. Thürmer, D. Stemer, M. Pugini, F. Trinter, J. Vokrouhlický, P. Slavíček und B. Winter: From Gas to Solution: The Changing Neutral Structure of Proline upon Solvation. The Journal of Physical Chemistry A 128 (47), 10202–10212 (2024).
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Cui, M., K. Reuter und J. Margraf: Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of Chemical Theory and Computation 20 (12), 5276–5290 (2024).
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Davis, E., A. Bergmann, H. Kuhlenbeck und B. Roldan Cuenya: Facet Dependence of the Oxygen Evolution Reaction on Co3O4, CoFe2O4, and Fe3O4 epitaxial film electrocatalysts. Journal of the American Chemical Society 146 (20), 13770–13782 (2024).
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Demir, S., A. Tekin, Y.-T. Chan, C. Scheurer, K. Reuter, A.C. Luntz und J. Voss: Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials 7 (6), 2392–2404 (2024).
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Ding, Y., Y. Liu, A. Klyushin, L. Zhang, G. Han, Z. Liu, J. Li, B. Zhang, K. Gao, W. Li, R.-A. Eichel, X. Sun, Z.-A. Qiao und S. Heumann: Ultrathin Two-dimensional Layered Composite Carbosilicates from in situ Unzipped Carbon Nanotubes and Exfoliated Bulk Silica. Angewandte Chemie International Edition 63 (7), e202318043 (2024).
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Dogan, D., B. Hecker, X. Hou, I. Dessel, A. Müller, G. Wasserschaff, S.S. Köcher, V. Karyofylli, H. Kungl, H. Tempel und R.-A. Eichel: A Well-Advanced High-Throughput Test System for Electrocatalytic Screening Applications Under Industrial Relevant Conditions - A Perspective to Accelerate Electrolysis Research and Development. Electrochemical Science Advances e202400015 (2024).
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Dudzinski, A., E. Diesen, K. Reuter und V.J. Bukas: Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs Pt(111). The Journal of Physical Chemistry C 128 (49), 20886–20894 (2024).
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Dupuy, R., T. Buttersack, F. Trinter, C. Richter, S. Gholami, O. Björneholm, U. Hergenhahn, B. Winter und H. Bluhm: The solvation shell probed by resonant intermolecular Coulombic decay. Nature Communications 15, 6929 (2024).
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Ebert, F., P. Ingale, S. Vogl, S. Praetz, C. Schlesiger, N. Pfister, R. Naumann d'Alnoncourt, B. Roldan Cuenya, A. Thomas, E. Gioria und F. Rosowski: Cobalt(II) Nanoclusters Incorporated in Ordered Mesoporous Al2O3 for Stable and Coke-Resistant Propane Dehydrogenation. ACS Catalysis 14 (13), 9993–10008 (2024).
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Eibenberger Arias, S.: Controlling the Internal States of Chiral Molecules. Bunsen-Magazin 2024 (1), 37–40 (2024).
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Erdem, E., A. Tarasov, P. Kube, G. Koch, M. Plodinec, T. Lunkenbein, S. Carey, Y. Wang, M. Hävecker, F. Rosowski, R. Schlögl und A. Trunschke: The Influence of Melting on Catalysis in Propane Oxidation. ChemCatChem 16 (3), e202301242 (2024).
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Eren, E.O., C. Esen, E. Scoppola, Z. Song, E. Senokos, H. Zschiesche, D. Cruz, I. Lauermann, N.V. Tarakina, B. Kumru, M. Antonietti und P. Giusto: Microporous Sulfur-Carbon Materials with Extended Sodium Storage Window. Advanced Science 2024, 2310196 (2024).
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Etxebarria, A., M. Lopez-Luna, A. Martini, U. Hejral, M. Rüscher, C. Zhan, A. Herzog, A. Jamshaid, D. Kordus, A. Bergmann, H. Kuhlenbeck und B. Roldan Cuenya: Effect of Iron Doping in Ordered Nickel Oxide Thin Film Catalyst for the Oxygen Evolution Reaction. ACS Catalysis 14 (18), 14219–14232 (2024).
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Falling, L., W. Jang, S. Laha, T. Götsch, M.W. Terban, S. Bette, R. Mom, J. Velasco Vélez, F. Girgsdies, D. Teschner, A. Tarasov, C.-H. Chuang, T. Lunkenbein, A. Knop-Gericke, W. Weber, R. Dinnebier, B. Lotsch, R. Schlögl und T. Jones: Atomic Insights into the Competitive Edge of Nanosheets Splitting Water. Journal of the American Chemical Society 146 (40), 27886–27902 (2024).
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Fellows, A.P., A. Diaz Duque, V. Balos, L. Lehmann, R.R. Netz, M. Wolf und M. Thämer: How Thick is the Air-Water Interface? - A Direct Experimental Measurement of the Decay Length of the Interfacial Structural Anisotropy. Langmuir 40 (35), 18760–18772 (2024).
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Fellows, A.P., A. Diaz Duque, V. Balos, L. Lehmann, R.R. Netz, M. Wolf und M. Thämer: Sum-Frequency Generation Spectroscopy of Aqueous Interfaces: The Role of Depth and Its Impact on Spectral Interpretation. The Journal of Physical Chemistry C 128 (49), 20733–20750 (2024).
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Fellows, A.P., B. John, M. Wolf und M. Thämer: Spiral packing and chiral selectivity in model membranes probed by phase-resolved sum-frequency generation microscopy. Nature Communications 15, 3161 (2024).
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Fellows, A.P., B. John, M. Wolf und M. Thämer: Extracting the Heterogeneous 3D Structure of Molecular Films Using Higher Dimensional SFG Microscopy. The Journal of Physical Chemistry Letters 15 (43), 10849–10857 (2024).
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Frenzel, M., J. Urban, L. Nest, T. Kampfrath, M.S. Spencer und S.F. Maehrlein: Quartz as an accurate high-field low-cost THz helicity detector. Optica 11 (3), 362–370 (2024).
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Galiffi, E., G. Carini, X. Ni, G. Álvarez-Pérez, S. Yves, E.M. Renzi, R. Nolen, S. Wasserroth, M. Wolf, P. Alonso-Gonzales, A. Paarmann und A. Alù: Extreme light confinement and control in low-symmetry phonon-polaritonic crystals. Nature Reviews Materials 9, 9-28 (2024).
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Ghafari, A. und C. Janowitz: Electronic band structure and thermoelectric properties of ternary SnSxSe2-x (x = 0,1,2). Materials Today Communications 38, 107483 (2024).
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Gierster, L., O. Turkina, J.-C. Deinert, S.P.K. Vempati, E. Baeta, Y. Garmshausen, S. Hecht, C. Draxl und J. Stähler: Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation. Advanced Science 2403765 (2024).
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Greten, L., R. Salzwedel, T. Göde, D. Greten, S. Reich, S. Hughes, M. Selig und A. Knorr: Strong Coupling of Two-Dimensional Excitons and Plasmonic Photonic Crystals: Microscopic Theory Reveals Triplet Spectra. ACS Photonics 11 (4), 1396–1411 (2024).
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Grigorev, P., L. Frérot, F. Birks, A. Gola, J. Golebiowski, J. Grießer, J.L. Hörmann, A. Klemenz, G. Moras, W.G. Nöhring, J.A. Oldenstaedt, P. Patel, T. Reichenbach, L. Shenoy, M. Walter, S. Wengert, J.R. Kermode und L. Pastewka: matscipy: materials science at the atomic scale with Python. The Journal of Open Source Software (JOSS) 9 (93), 5668 (2024).
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Gückstock, O., N. Stojanovic, Y.K. Ha, T. Hagelschuer, A. Denker, G. Kourkafas, T. Seifert, T. Kampfrath und M. Gensch: Radiation hardness of ultrabroadband spintronic terahertz emitters: en-route to a space-qualified terahertz time-domain gas spectrometer. Applied Physics Letters 124 (14), 141103 (2024).
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Haase, F., E. Ortega, S. Saddeler, F. Schmidt, D. Cruz, F. Scholten, M. Rüscher, A. Martini, H. Jeon, A. Herzog, U. Hejral, E. Davis, J. Timoshenko, A. Knop-Gericke, T. Lunkenbein, S. Schulz, A. Bergmann und B. Roldan Cuenya: Role of Fe Decoration on the Oxygen Evolving State of Co3O4 Nanocatalysts. Energy & Environmental Science 17 (5), 2046–2058 (2024).
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Hannappel, T., S. Shekarabi, W. Jaegermann, E. Runge, J.P. Hofmann, R. van de Krol, M.M. May, A. Bergmann, A. Bund, C. Cierpka, C. Dreßler, F. Dionigi, D. Friedrich, M. Favaro, F. Hess, S. Krischok, M. Kurniawan, K. Lüdge, Y. Lei, A. Paszuk, B. Roldan Cuenya, P. Schaaf, R. Schmidt-Grund, W.G. Schmidt, P. Strasser, E. Unger, M.F. Vasquez Montoya, D. Wang und H. Zhang: Integration of Multijunction Absorbers and Catalysts for Efficient Solar-Driven Artificial Leaf Structures: A Physical and Materials Science Perspective. Solar RRL 8 (11), 2301047 (2024).
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Hans, A., N. Kiefer, L. Marder, C. Küstner-Wetekam, E. Heikura, N. Golchert, J.H. Viehmann, D. Cubaynes, I. Ismail, F. Trinter, P. Lablanquie, J. Palaudoux, A. Ehresmann und F. Penent: Experimental Realization of Auger Decay in the Field of a Positive Elementary Charge. Physical Review Letters 132 (20), 203002 (2024).
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Harper, A.F., K. Iwanowski, W.C. Witt, M.C. Payne und M. Simoncelli: Vibrational and thermal properties of amorphous alumina from first principles. Physical Review Materials 8 (4), 043601 (2024).
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Häusler, I., R. Řepa, A. Hammud, O. Skibitzki und F. Hatami: Investigation of Defect Formation in Monolithic Integrated GaP Islands on Si Nanotip Wafers. Electronics 13 (15), 2945 (2024).
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