Publications

Journal Article

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

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Journal Article

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 and C. Draxl: Roadmap on organic–inorganic hybrid perovskite semiconductors and devices. APL Materials 9 (10), 109202 (2021).

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Journal Article

Scholten, F., K.-L.C. Nguyen, J.P. Bruce, M. Heyde and 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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Journal Article

Scholten, F., K.-L.C. Nguyen, J.P. Bruce, M. Heyde and 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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Journal Article

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 and 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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Journal Article

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 and R.J. Saykally: Angstrom-Resolved Interfacial Structure in Buried Organic-Inorganic Junctions. Physical Review Letters 127 (9), 096801 (2021).

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Journal Article

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

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Journal Article

Seifert, J., S. Carey, S. Schauermann, S.K. Shaikhutdinov and 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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Journal Article

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 and 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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Journal Article

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

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Journal Article

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

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Journal Article

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 and 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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Journal Article

Simon, G.H., C. Kley and 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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Journal Article

Simon, G.H., C. Kley and 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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Journal Article

Sixt, T., J. Guan, A. Tsoukala, S. Hofsäss, T. Muthu-Arachchige, F. Stienkemeier and 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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Journal Article

Spanos, I., J. Masa, A. Zeradjanin and 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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Journal Article

Spöri, C., L. Falling, M. Kroschel, C. Brand, A. Bonakdarpour, S. Kühl, D. Berger, M. Gliech, T. Jones, D.P. Wilkinson and 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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Journal Article

Staacke, C., H. Heenen, C. Scheurer, G. Csányi , K. Reuter and 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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Journal Article

Stegmaier, S., R. Schierholz, I. Povstugar, J. Barthel, S.P. Rittmeyer, S. Yu, S. Wengert, S. Rostami, H. Kungl, K. Reuter, R.-A. Eichel and 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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Journal Article

Straňák, P., L. Ploenes, S. Hofsäss, K. Dulitz, F. Stienkemeier and 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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Journal Article

Szekeres, G.P., S. Krekic, R.L. Miller, M. Mero, K. Pagel and 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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Journal Article

Talirz, L., L.M. Ghiringhelli and 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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Journal Article

Thomas, D., M. Taccone, K. Ober, E. Mucha, G. Meijer and 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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Journal Article

Thürmer, S., S. Malerz, F. Trinter, U. Hergenhahn, C. Lee, D.M. Neumark, G. Meijer, B. Winter and 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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Journal Article

Timmermann, J., Y. Lee, C. Staacke, J. Margraf, C. Scheurer and 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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Journal Article

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

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Journal Article

Toghan, A., M. Greiner, A. Knop-Gericke and 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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Journal Article

Tompos, A., M. Sanchez-Sanchez, L. Végvári, G.P. Szijjártó, J.L. Margitfalvi, A. Trunschke, R. Schlögl, K. Wanninger and 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

Journal Article

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

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Journal Article

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 and T. Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces 8 (18), 2100967 (2021).

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Journal Article

Ulrich, V., B. Moroz, P. Pyrjaev, I. Sinev, A. Bukhtiyarov, E. Gerasimov, V. Bukhtiyarov, B. Roldan Cuenya and 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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Journal Article

Vanbuel, J., P. Ferrari, M. Jia, A. Fielicke and 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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Journal Article

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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Journal Article

Várnai, B., M. Grabarics, Z. Szakács, K. Pagel, M. Malanga, T. Sohajda and 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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Journal Article

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 and U. Jeong: Hydrogen-doped viscoplastic liquid metal microparticles for stretchable printed metal lines. Nature Materials 20 (4), 533–540 (2021).

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Full

Journal Article

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 and 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

Journal Article

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 and 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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Full

Journal Article

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 and 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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Journal Article

Wang, H., S. Delacroix, A. Zieleniewska, J. Hou, N.V. Tarakina, D. Cruz, I. Lauermann, A.J. Ferguson, J.L. Blackburn and 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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Journal Article

Wang, M., C.-Y. Zhao, H.-Y. Zhou, Y. Zhao, Y. Li and 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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Journal Article

Wang, W., X. Liu and 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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Journal Article

Wasyluk, Ł., V. Boiko, M. Markowska, M. Haisak, M.L. Saladino, D. Hreniak, N. Amati, L. Gregoratti, P. Zeller, D. Biały, J. Arkowski and 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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Journal Article

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi and 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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Journal Article

Weindl, R., R. Khare, L. Kovarik, A. Jentys, K. Reuter, H. Shi and 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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Journal Article

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

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Journal Article

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

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Journal Article

Xu, W., M. Andersen and 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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Journal Article

Xu, Y., G. Luo, Q. Zhang, W. Cui, Z. Li and 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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