Publications

Zeitschriftenartikel

Schlögl, R., B. Zhang, Q. Zhang und X. Bao: ChemSuChem-a memorial to Dangsheng Su. Journal of Energy Chemistry 61, 250–252 (2021).

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Zeitschriftenartikel

Schmidt-Mende, L., V. Dyakonov, S. Olthof, F. Ünlü, K.M.T. Lê, S. Mathur, A.D. Karabanov, D.C. Lupascu, L.M. Herz, A. Hinderhofer, F. Schreiber, A. Chernikov, D.A. Egger, O. Shargaieva, C. Cocchi, E. Unger, M. Saliba, M.M. Byranvand, M. Kroll, F. Nehm, K. Leo, A. Redinger, J. Höcker, T. Kirchartz, J. Warby, E. Gutierrez-Partida, D. Neher, M. Stolterfoht, U. Würfel, M. Unmüssig, J. Herterich, C. Baretzky, J. Mohanraj, M. Thelakkat, C. Maheu, W. Jaegermann, T. Mayer, J. Rieger, T. Fauster, D. Niesner, F. Yang, S. Albrecht, T. Riedl, A. Fakharuddin, M. Vasilopoulou, Y. Vaynzof, D. Moia, J. Maier, M. Franckevičius, V. Gulbinas, R.A. Kerner, L. Zhao, B.P. Rand, N. Glück, T. Bein, F. Matteocci, L.A. Castriotta, A.D. Carlo, M. Scheffler und C. Draxl: Roadmap on organic–inorganic hybrid perovskite semiconductors and devices. APL Materials 9 (10), 109202 (2021).

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Zeitschriftenartikel

Scholten, F., K.-L.C. Nguyen, J.P. Bruce, M. Heyde und B. Roldan Cuenya: Identifying structure-selectivity correlations in the electrochemical reduction of CO₂: a comparison of well-ordered atomically-clean and chemically-etched Cu single crystal surfaces. Angewandte Chemie International Edition 60 (35), 19169–19175 (2021).

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Zeitschriftenartikel

Scholten, F., K.-L.C. Nguyen, J.P. Bruce, M. Heyde und B. Roldan Cuenya: Identifying structure-selectivity correlations in the electrochemical reduction of CO₂: a comparison of well-ordered atomically-clean and chemically-etched Cu single crystal surfaces. Angewandte Chemie 133 (35), 19318–19324 (2021).

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Zeitschriftenartikel

Schönhense, G., D. Kutnyakhov, F. Pressacco, M. Heber, N. Wind, S.Y. Agustsson, S. Babenkov, D. Vasilyev, O. Fedchenko, S. Chernov, L. Rettig, B. Schönhense, L. Wenthaus, G. Brenner, S. Dziarzhytski, S. Palutke, S.K. Mahatha, N. Schirmel, H. Redlin, B. Manschwetus, I. Hartl, Y. Matveyev, A. Gloskovskii, C. Schlueter, V. Shokeen, H. Duerr, T.K. Allison, M. Beye, K. Rossnagel, H.J. Elmers und K. Medjanik: Suppression of the vacuum space-charge effect in fs-photoemission by a retarding electrostatic front lens. Review of Scientific Instruments 92 (05), 053703 (2021).

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Zeitschriftenartikel

Schwartz, C.P., S.L. Raj, S. Jamnuch, C.J. Hull, P. Miotti, R.K. Lam, D. Nordlund, C.B. Uzundal, C.D. Pemmaraju, R. Mincigrucci, L. Foglia, A. Simoncig, M. Coreno, C. Masciovecchio, L. Giannessi, L. Poletto, E. Principi, M. Zürch, T.A. Pascal, W.S. Drisdell und R.J. Saykally: Angstrom-Resolved Interfacial Structure in Buried Organic-Inorganic Junctions. Physical Review Letters 127 (9), 096801 (2021).

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Zeitschriftenartikel

Schwarz, H. und B. Friedrich: Nachruf: Rudolf Zahradník (1928 - 2020). Nachrichten aus der Chemie 69 (1), 94–94 (2021).

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Zeitschriftenartikel

Seifert, J., S. Carey, S. Schauermann, S.K. Shaikhutdinov und H.-J. Freund: Water and Carbon Dioxide Adsorption on CaO(001) Studied via Single Crystal Adsorption Calorimetry. Topics in Catalysis 64 (17-20), 1030–1040 (2021).

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Zeitschriftenartikel

Seifert, T., U. Martens, F. Radu, M. Ribow, M. Beritta, L. Nadvornik, R. Starke, T. Jungwirth, M. Wolf, I. Radu, M. Münzenberg, P.M. Oppeneer, G. Woltersdorf und T. Kampfrath: Frequency-Independent Terahertz Anomalous Hall Effect in DyCo₅, Co₃₂Fe₆₈ and Gd₂₇Fe₇₃ Thin Films from DC to 40 THz. Advanced Materials 33 (14), 2007398 (2021).

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Zeitschriftenartikel

Seiler, H., M. Krynski, D. Zahn, S. Hammer, Y.W. Windsor, T. Vasileiadis, J. Pflaum, R. Ernstorfer, M. Rossi und H. Schwoerer: Nuclear dynamics of singlet exciton fission in pentacene single crystals. Science Advances 7 (26), eabg0869 (2021).

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Zeitschriftenartikel

Seiler, H., D. Zahn, M. Zacharias, P.-N. Hildebrandt, T. Vasileiadis, Y.W. Windsor, Y. Qi, C. Carbogno, C. Draxl, R. Ernstorfer und F. Caruso: Accessing the Anisotropic Nonthermal Phonon Populations in Black Phosphorus. Nano Letters 21 (14), 6171–6178 (2021).

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Zeitschriftenartikel

Sidiropoulos, T.P.H., N. Di Palo, D.E. Rivas, S. Severino, M. Reduzzi, B. Nandy, B. Bauerhenne, S. Krylow, T. Vasileiadis, T. Danz, P. Elliott, S. Sharma, K. Derwhurst, C. Ropers, Y. Joly, K.M.E. Garcia, M. Wolf, R. Ernstorfer und J. Biegert: Probing the Energy Conversion Pathways between Light, Carriers, and Lattice in Real Time with Attosecond Core-Level Spectroscopy. Physical Review X 11 (4), 041060 (2021).

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Zeitschriftenartikel

Simon, G.H., C. Kley und B. Roldan Cuenya: Potential‐Dependent Morphology of Copper Catalysts During CO₂ Electroreduction Revealed by In Situ Atomic Force Microscopy. Angewandte Chemie International Edition 60 (5), 2561–2568 (2021).

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Zeitschriftenartikel

Simon, G.H., C. Kley und B. Roldan Cuenya: Potentialabhängige Morphologie von Kupferkatalysatoren während der Elektroreduktion von CO₂, ermittelt durch In‐situ‐Rasterkraftmikroskopie. Angewandte Chemie 133 (5), 2591–2599 (2021).

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Zeitschriftenartikel

Sixt, T., J. Guan, A. Tsoukala, S. Hofsäss, T. Muthu-Arachchige, F. Stienkemeier und K. Dulitz: Preparation of individual magnetic sub-levels of ⁴He(2³S₁) in a supersonic beam using laser optical pumping and magnetic hexapole focusing. Review of Scientific Instruments 92 (7), 073203 (2021).

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Zeitschriftenartikel

Spanos, I., J. Masa, A. Zeradjanin und R. Schlögl: The Effect of Iron Impurities on Transition Metal Catalysts for the Oxygen Evolution Reaction in Alkaline Environment: Activity Mediators or Active Sites? Catalysis Letters 151 (7), 1843–1856 (2021).

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Zeitschriftenartikel

Spöri, C., L. Falling, M. Kroschel, C. Brand, A. Bonakdarpour, S. Kühl, D. Berger, M. Gliech, T. Jones, D.P. Wilkinson und P. Strasser: Molecular Analysis of the Unusual Stability of an IrNbO_x Catalyst for the Electrochemical Water Oxidation to Molecular Oxygen (OER). ACS Applied Materials and Interfaces 13 (3), 3748–3761 (2021).

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Zeitschriftenartikel

Staacke, C., H. Heenen, C. Scheurer, G. Csányi , K. Reuter und J. Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials 4 (11), 12562–12569 (2021).

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Zeitschriftenartikel

Stegmaier, S., R. Schierholz, I. Povstugar, J. Barthel, S.P. Rittmeyer, S. Yu, S. Wengert, S. Rostami, H. Kungl, K. Reuter, R.-A. Eichel und C. Scheurer: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials 11 (26), 2100707 (2021).

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Zeitschriftenartikel

Straňák, P., L. Ploenes, S. Hofsäss, K. Dulitz, F. Stienkemeier und S. Willitsch: Development and characterization of high-repetition-rate sources for supersonic beams of fluorine radicals. Review of Scientific Instruments 92 (10), 103203 (2021).

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Zeitschriftenartikel

Szekeres, G.P., S. Krekic, R.L. Miller, M. Mero, K. Pagel und Z. Heiner: The interaction of chondroitin sulfate with a lipid monolayer observed by using nonlinear vibrational spectroscopy. Physical Chemistry Chemical Physics 23 (23), 13389–13395 (2021).

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Zeitschriftenartikel

Talirz, L., L.M. Ghiringhelli und B. Smit: Trends in Atomistic Simulation Software Usage [Articlev1.0]. Living Journal of Computational Molecular Science 3 (1), 1–12 (2021).

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Zeitschriftenartikel

Thomas, D., M. Taccone, K. Ober, E. Mucha, G. Meijer und G.von Helden: Helium Nanodroplet Infrared Action Spectroscopy of the Proton-Bound Dimer of Hydrogen Sulfate and Formate: Examining Nuclear Quantum Effects. The Journal of Physical Chemistry A 125 (42), 9279–9287 (2021).

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Zeitschriftenartikel

Thürmer, S., S. Malerz, F. Trinter, U. Hergenhahn, C. Lee, D.M. Neumark, G. Meijer, B. Winter und I. Wilkinson: Accurate vertical ionization energy and work function determinations of liquid water and aqueous solutions. Chemical Science 12 (31), 10558–10582 (2021).

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Zeitschriftenartikel

Timmermann, J., Y. Lee, C. Staacke, J. Margraf, C. Scheurer und K. Reuter: Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO₂ and RuO₂. The Journal of Chemical Physics 155 (24), 244107 (2021).

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Zeitschriftenartikel

Timoshenko, J. und B. Roldan Cuenya: In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy. Chemical Reviews 121 (2), 882–961 (2021).

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Zeitschriftenartikel

Toghan, A., M. Greiner, A. Knop-Gericke und R. Imbihl: Identification of the surface species in electrochemical promotion: ethylene oxidation over a Pt/YSZ catalyst. Physical Chemistry Chemical Physics 23 (38), 21591–21598 (2021).

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Zeitschriftenartikel

Tompos, A., M. Sanchez-Sanchez, L. Végvári, G.P. Szijjártó, J.L. Margitfalvi, A. Trunschke, R. Schlögl, K. Wanninger und G. Mestl: Combinatorial optimization and synthesis of multiple promoted MoVNbTe catalysts for oxidation of propane to acrylic acid. Catalysis Today 363, 45–54 (2021).

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Full

Zeitschriftenartikel

Tsakonas, C., A.C. Manikas, M. Andersen, M. Dimitropoulos, K. Reuter und C. Galiotis: In situ kinetic studies of CVD graphene growth by reflection spectroscopy. Chemical Engineering Journal 421 (1), 129434 (2021).

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Zeitschriftenartikel

Türk, H., F. Schmidt, T. Götsch, F. Girgsdies, A. Hammud, D. Ivanov, I.C. Vinke, L.G.J. de Haart, R.-A. Eichel, K. Reuter, R. Schlögl, A. Knop-Gericke, C. Scheurer und T. Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces 8 (18), 2100967 (2021).

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Zeitschriftenartikel

Ulrich, V., B. Moroz, P. Pyrjaev, I. Sinev, A. Bukhtiyarov, E. Gerasimov, V. Bukhtiyarov, B. Roldan Cuenya und W. Grünert: Three-way catalysis with bimetallic supported Pd-Au catalysts: Gold as a poison and as a promotor. Applied Catalysis B 282, 119614 (2021).

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Zeitschriftenartikel

Vanbuel, J., P. Ferrari, M. Jia, A. Fielicke und E. Janssens: Argon tagging of doubly transition metal doped aluminum clusters: The importance of electronic shielding. The Journal of Chemical Physics 154 (5), 054312 (2021).

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Zeitschriftenartikel

Varano, C.: Elmar Zeitler: A Rigorous and Jovial Physicist: March 12, 1927–December 19, 2020. Microscopy Today 23 (3), 66–67 (2021).

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Zeitschriftenartikel

Várnai, B., M. Grabarics, Z. Szakács, K. Pagel, M. Malanga, T. Sohajda und S. Béni: Structural characterization of fondaparinux interaction with per-6-amino-beta-cyclodextrin: An NMR and MS study. Journal of Pharmaceutical and Biomedical Analysis 197, 113947 (2021).

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Zeitschriftenartikel

Veerapandian, S., W. Jang, J.B. Seol, H. Wang, M. Kong, K. Thiyagarajan, J. Kwak, G. Park, G. Lee, W. Suh, I. You, M.E. Kılıç, A. Giri, L. Beccai, A. Soon und U. Jeong: Hydrogen-doped viscoplastic liquid metal microparticles for stretchable printed metal lines. Nature Materials 20 (4), 533–540 (2021).

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Zeitschriftenartikel

Velasco Vélez, J., E. Carbonio, C.-H. Chuang, C.-J. Hsu, J.-F. Lee, R. Arrigo, M. Hävecker, R. Wang, M. Plodinec, F.R. Wang, A. Centeno, A. Zurutuza, L. Falling, R. Mom, S. Hofmann, R. Schlögl, A. Knop-Gericke und T. Jones: Surface Electron-Hole Rich Species Active in the Electrocatalytic Water Oxidation. Journal of the American Chemical Society 143 (32), 12524–12534 (2021).

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supplementary-material

Zeitschriftenartikel

Velasco Vélez, J., L. Falling, D. Bernsmeier, M.J. Sear, P.C.J. Clark, T.S. Chan, E. Stotz, M. Hävecker, R. Kraehnert, A. Knop-Gericke, C.-H.C. Chuang, D.E. Starr, M. Favaro und R. Mom: A comparative study of electrochemical cells for in situ X-ray spectroscopies in the soft and tender X-ray range. Journal of Physics D 54 (12), 124003 (2021).

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Volykhov, A.A., A.S. Frolov, V.S. Neudachina, N.V. Vladimirova, E. Gerber, C. Callaert, J. Hadermann, N.O. Khmelevsky, A. Knop-Gericke, J. Sánchez-Barriga und L.V. Yashina: Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂. Applied Surface Science 541, 148490 (2021).

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Zeitschriftenartikel

Wang, H., S. Delacroix, A. Zieleniewska, J. Hou, N.V. Tarakina, D. Cruz, I. Lauermann, A.J. Ferguson, J.L. Blackburn und V. Strauss: In Situ Synthesis of Molybdenum Carbide Nanoparticles Incorporated into Laser-Patterned Nitrogen-Doped Carbon for Room Temperature VOC Sensing. Advanced Functional Materials 31 (46), 2104061 (2021).

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Zeitschriftenartikel

Wang, M., C.-Y. Zhao, H.-Y. Zhou, Y. Zhao, Y. Li und J.-B. Ma: The sequential activation of H₂ and N₂ mediated by the gas-phase Sc₃N⁺ clusters: Formation of amido unit. The Journal of Chemical Physics 154 (5), 054307 (2021).

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Zeitschriftenartikel

Wang, W., X. Liu und J. Pérez-Ríos: Complex Reaction Network Thermodynamic and Kinetic Autoconstruction Based on Ab Initio Statistical Mechanics: A Case Study of O₂ Activation on Ag₄ Clusters. The Journal of Physical Chemistry A 125 (25), 5670–5680 (2021).

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Zeitschriftenartikel

Wasyluk, Ł., V. Boiko, M. Markowska, M. Haisak, M.L. Saladino, D. Hreniak, N. Amati, L. Gregoratti, P. Zeller, D. Biały, J. Arkowski und M. Wawrzynska: Graphene Coating Obtained in a Cold-Wall CVD Process on the Co-Cr Alloy (L-605) for Medical Applications. International Journal of Molecular Sciences 22 (6), 2917 (2021).

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Zeitschriftenartikel

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites. Angewandte Chemie International Edition 60 (17), 9301–9305 (2021).

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Zeitschriftenartikel

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites. Angewandte Chemie 60 (17), 9387–9391 (2021).

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Zeitschriftenartikel

Wengert, S., G. Csányi, K. Reuter und J. Margraf: Data-efficient machine learning for molecular crystal structure prediction. Chemical Science 12 (12), 4536–4546 (2021).

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Zeitschriftenartikel

Windsor, Y.W., D. Zahn, R. Kamrla, J. Feldl, H. Seiler, C.-T. Chiang, M. Ramsteiner, W. Widdra, R. Ernstorfer und L. Rettig: Exchange-Striction Driven Ultrafast Nonthermal Lattice Dynamics in NiO. Physical Review Letters 126 (14), 147202 (2021).

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Zeitschriftenartikel

Xu, W., M. Andersen und K. Reuter: Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity. ACS Catalysis 11 (2), 734–742 (2021).

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Zeitschriftenartikel

Xu, Y., G. Luo, Q. Zhang, W. Cui, Z. Li und S. Zhang: Potential hazards of novel waste-derived sorbents for efficient removal of mercury from coal combustion flue gas. Journal of Hazardous Materials 412, 125226 (2021).

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