Publications

2025

J. Zhu, S. Shaikhutdinov, B. Roldan Cuenya, Structure-Reactivity Relationships in CO₂ Hydrogenation to C2+ Chemicals on Fe-Based Catalysts, Chem. Sci. 2025, 16 (DOI: 10.1039/d4sc06376g).
A. Yoon, L. Bai, F. Yang, F. Franco, C. Zhan, M. Rüscher, J. Timoshenko, C. Pratsch, S. Werner, H. S. Jeon, M. C. O. Monteiro, S. W. Chee, B. Roldan Cuenya, Revealing Catalyst Restructuring and Composition During Nitrate Electroreduction through Correlated Operando Microscopy and Spectroscopy, Nature Materials 2025 (DOI: 10.1038/s41563-024-02084-8).

2024

C. Zhan, F. Dattila, C. Rettenmaier, A. Herzog, M. Herran, T. Wagner, F. Scholten, A. Bergmann, N. López, B. Roldan Cuenya, Key intermediates and Cu active sites for CO₂ electroreduction to ethylene and ethanol, Nat. Energy 2024, 9, 1485-1496 (DOI: 10.1038/s41560-024-01633-4).
A. Herzog, M. Rüscher, H. S. Jeon, J. Timoshenko, C. Rettenmaier, U. Hejral, E. M. Davis, F. T. Haase, D. Kordus, S. Kühl, W. Frandsen, A. Bergmann and B. Roldan Cuenya, Time-Resolved Operando Insights into the Tunable Selectivity of Cu-Zn Nanocubes during Pulsed CO2 Electroreduction, Energy Environ. Sci. 2024, 17, 7081 (DOI: 10.1039/d4ee02308k).
A. Herzog, M. Lopez Luna, H.-S. Jeon, C. Rettenmaier, P. Grosse, A. Bergmann and B. Roldan Cuenya, Operando Raman Spectroscopy Uncovers the Role of Hydroxide and CO Species for an Enhanced Ethanol Selectivity during Pulsed CO₂ Electroreduction, Nature Comm. 2024, 15, 3986 (DOI: 10.1038/s41467-024-48052-3).
L. Bai, 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 and B. Roldan Cuenya, Electrocatalytic Nitrate and Nitrite Reduction toward Ammonia using Cu₂O Nanocubes: Active Species and Reaction Mechanisms, J. Am. Chem. Soc. 2024, 146, 9665-9678, (DOI: 10.1021/jacs.3c13288).
F. Manzoni, B. M. D. Fahl and M. Zobel, Improved Structural Description of Different γ-Al₂O₃ Materials Using Disordered δ₅-Al₂O₃ Phase via X-ray Pair Distribution Function Analysis, Catalysts 2024, 14, 238 (DOI: 10.3390/catal14040238).
Q. Wu, A. Alkemper, S. Lauterbach, J. P. Hofmann, M. Einert, Fabrication of nanocrystalline high-entropy oxide CoNiFeCrMnOx thin film electrodes by dip-coating for oxygen evolution electrocatalysis, Energy Adv. (2024) (DOI: 10.1039/D4YA00026A).
D. Kordus, S. Widrinna, J. Timoshenko, M. Lopez Luna, C. Rettenmaier, S. W. Chee, E. Ortega, O. Karslioglu, S. Kühl and B. Roldan Cuenya, Enhanced Methanol Synthesis from CO₂ hydrogenation achieved by tuning the Cu-ZnO interaction in ZnO/Cu₂O Nanocube Catalysts supported on ZrO₂ and SiO₂, J. Am. Chem. Soc. 2024, 146, 8677-8687, (DOI: 10.1021/jacs.4c01077).
L. Krausser, Q. Yang, E. V Kondratenko, CO2 Hydrogenation to Hydrocarbons over Fe-Based Catalysts: Status and Recent Developments, ChemCatChem e202301716 (DOI: https://doi.org/10.1002/cctc.202301716).
E. A. Fedorova, L. Kraußer, J. Weiß, A. Fedorov, A. Brückner, E. V Kondratenko, C. Kubis, Operando DRIFTS Investigations on Surface Intermediates and Effects of Potassium in CO2 Hydrogenation over a K−Fe/YZrOx Catalyst, ChemCatChem e202301697 (DOI: https://doi.org/10.1002/cctc.202301697).
D. M. Morales, M. A. Kazakova, D. Medina, J. Villalobos, G. Schuck, M. Risch, W. Schuhmann, MnFeNi-based composite as a case study of a bifunctional oxygen electrocatalyst under dynamically changing electrode potentials, ChemCatChem e202301174 (DOI: https://doi.org/10.1002/cctc.202301174).
F. T. Haase, E. Ortega, S. Saddeler, F.-P. Schmidt, D. Cruz, F. Scholten, M. Rüscher, A. Martini, H. Jeon, A. Herzog, U. Hejral, E. M. Davis, J. Timoshenko, A. Knop-Gericke, T. Lunkenbein, S. Schulz, A. Bergmann and B. Roldan Cuenya, Role of Fe Decoration on the Oxygen Evolving State of Co₃O₄ Nanocatalysts, Energy Environ. Sci. 2024, 17, 2046-2058, (DOI: 10.1039/d3ee02809g).
K.-L. C. Nguyen, J. P. Bruce, A. Yoon, J. J. Navarro, F. Scholten, F. Landwehr, C. Rettenmaier, M. Heyde, and B. Roldan Cuenya, The Influence of Mesoscopic Surface Structure on the Electrocatalytic Selectivity of CO₂Reduction with UHV-Prepared Cu(111) Single Crystals, ACS Energy Lett. 2024, 9, 2, 644-652, (DOI: 10.1021/acsenergylett.3c02693).
Ph. Timmer, and H. Over, Active Phase of IrO₂ in the Catalytic CH₄ Combustion Reaction: Operando Infrared Spectroscopy and Online Gas Analysis, J. Phys. Chem. C 2024, 128, 3, 1068–1074, (DOI: 10.1021/acs.jpcc.3c06617).
D. Hursan, J. Timoshenko, E. Ortega, H. S. Jeon, M. Rüscher, A. Herzog, C. Rettenmaier, S. W. Chee, A. Martini, D. Koshy, and B. Roldan Cuenya, Reversible Structural Evolution of Metal-Nitrogen-Doped Carbon Catalysts During CO₂ Electroreduction: An Operando X-ray Absorption Spectroscopy Study, Adv. Mater. 2024, 36, 2307809, (DOI: 10.1002/adma.202307809).
Q. Wu, A. Alkemper, S. Lauterbach, J. P. Hofmann, M. Einert, Fabrication of nanocrystalline high-entropy oxide CoNiFeCrMnOx thin film electrodes by dip-coating for oxygen evolution electrocatalysis, Energy Adv. (2024) (DOI: 10.1039/D4YA00026A).

2023

A. Füngerlings, M. Wohlgemuth, D. Antipin, E. Van Der Minne, E. M. Kiens, J. Villalobos, M. Risch, F. Gunkel, R. Pentcheva, and C. Baeumer, Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelate, Nat. Commun. 2023, 14, 8284, (DOI: 10.1038/s41467-023-43901-z).
A. Too, E. Sidiropoulos, Y. Holz, N. Wangechi Karuri, and T. Seeger, Dual-Pump Vibrational Coherent Anti-Stokes Raman Scattering System Developed for Simultaneous Temperature and Relative Nitrogen–Water Vapor Concentration Measurements, Optics 2023, 4 (4), 613-624, (DOI: 10.3390/opt4040046).
J. Leipold, M. Jung, T. Keßler, A. Kienle, Nonlinear Behavior of Methanol Synthesis Compared to CO2 Methanation, Chem. Eng. \& Technol. 47 (3) (2024) 531–536 (DOI: https://doi.org/10.1002/ceat.202300256).
M. Yang, J. Yu, A. Zimina, B. B. Sarma, J.-D. Grunwaldt, H. Zada, L. Wang, J. Sun, Unlocking a Dual-Channel Pathway in CO2 Hydrogenation to Methanol over Single-Site Zirconium on Amorphous Silica, Angew. Chemie Int. Ed. 63 (4) (2024) e202312292 (DOI: https://doi.org/10.1002/anie.202312292).
Y. Wang, J. Gallego, W. Wang, P. Timmer, M. Ding, A. Spriewald Luciano, T. Weber, L. Glatthaar, Y. Guo, B. M Smarsly, and H. Over, Unveiling the self-activation of exsolved LaFe_0.9Ru_0.1O₃ perovskite during the catalytic total oxidation of propane, Chin. J. Catal. 2023, 54, 250-264, (DOI: 10.1016/S1872-2067(23)64547-4).
C. Rettenmaier, A. Herzog, D. Casari, M. Rüscher, H. S. Jeon, D. Kordus, M. L. Luna, S. Kühl, U. Hejral, E. M. Davis, S. W. Chee, J. Timoshenko, D. T. L. Alexander, A. Bergmann, B. R. Cuenya, Operando insights into correlating CO coverage and Cu–Au alloying with the selectivity of Au NP-decorated Cu2O nanocubes during the electrocatalytic CO2 reduction, EES. Catal. 2 (1) (2024) 311–323 (DOI: 10.1039/D3EY00162H).
F. Hess, Corrosion mechanism and stabilization strategies for RuO2 and IrO2 catalysts in the electrochemical oxygen evolution reaction, Curr. Opin. Electrochem. 41 (2023) 101349 (DOI: https://doi.org/10.1016/j.coelec.2023.101349).
Q. Yang, H. Lund, S. Bartling, F. Krumeich, A. S. Skrypnik, and E. V. Kondratenko, The role of Na for efficient CO₂ hydrogenation to higher hydrocarbons over Fe-based catalysts under externally forced dynamic conditions, J. Catal. 2023, 426, 126-139, (DOI: 10.1016/j.jcat.2023.07.012 ).
S. Strübbe, M. Nowakowski, R. Schoch, M. Bauer, High-Resolution X-ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation Catalysts, ChemPhysChem 24 (23) (2023) e202300113 (DOI: https://doi.org/10.1002/cphc.202300113).
A. S. Skrypnik, S. A. Petrov, V. A. Kondratenko, Q. Yang, A. A. Matvienko, E. V Kondratenko, Spatially resolved analysis of CO2 hydrogenation to higher hydrocarbons over alkali-metal promoted well-defined FexOyCz, J. Catal. 425 (2023) 286–295 (DOI: https://doi.org/10.1016/j.jcat.2023.06.019).
R. Amirbeigiarab, and O. M. Magnussen, In situ scanning tunneling microscopy studies of carbonate-induced restructuring of Ag-decorated Cu(100) electrodes, Phys. Chem. Chem. Phys. 2023, 25, 24871-24877, (DOI: 10.1039/D3CP02766J).
R. Amirbeigiarab, 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, Nat. Catal. 2023, 6, 837-846, (DOI: 10.1038/s41929-023-01009-z).
W. Wang, Y. Wang, Ph. Timmer, A. Spriewald-Luciano, T. Weber, L. Glatthaar, Y. Guo, B.M. Smarsly, and H. Over, Hydrogen Incorporation in Ru_xTi_1−xO₂ Mixed Oxides Promotes Total Oxidation of Propane, Inorganics 2023, 11, (8), 330, (DOI: 10.3390/inorganics11080330).
A. B. Shirsath, M. L. Schulte, B. Kreitz, S. Tischer, J.-D. Grunwaldt, and O. Deutschmann, Spatially-resolved investigation of CO₂ methanation over Ni/γ-Al₂O₃ and Ni_3.2Fe/γ-Al₂O₃ catalysts in a packed-bed reactor, Chem. Eng. J. 2023, 469, 143847, (DOI: 10.1016/j.cej.2023.143847).
Ph. Timmer, T. Weber, L. Glatthaar, and H. Over, Identifying the Active Phase of RuO₂ in the Catalytic CO Oxidation Reaction, Employing Operando CO Infrared Spectroscopy and Online Mass Spectrometry, Catalysts 2023, 13, 8, 1178, (DOI: 10.3390/catal13081178).
M. Langer, D. Kellermann, and H. Freund, Kinetic modeling of dynamically operated heterogeneously catalyzed reactions: Microkinetic model reduction and semi-mechanistic approach on the example of the CO₂ methanation, Chem. Eng. J. 2023, 467, 143217 (DOI: 10.1016/j.cej.2023.143217).
Q. Yang, V. A. Kondratenko, A. S. Skrypnik, H. Lund, S. Bartling, J. Weiss, A. Brückner, and E. V. Kondratenko, Understanding of the Fate of α-Fe₂O₃ in CO₂ Hydrogenation through Combined Time-Resolved In Situ Characterization and Microkinetic Analysis, ACS Catal. 2023, 13 (13), 9064-9077, (DOI: 10.1021/acscatal.3c01340).
A. S. Skrypnik, S. A. Petrov, V. A. Kondratenko, Q. Yang, A. A. Matvienko, and E. V. Kondratenko, Spatially resolved analysis of CO₂ hydrogenation to higher hydrocarbons over alkali-metal promoted well-defined Fe_xO_yC_z, J. Catal. 2023, 425, 286-295, (DOI: 10.1016/j.jcat.2023.06.019).
N. Prinz, S. Strübbe, M. Bauer, M. Zobel, Structural transitions during Ni nanoparticle formation by decomposition of a Ni-containing metal–organic framework using in situ total scattering, New J. Chem. 47 (24) (2023) 11623–11635 (DOI: 10.1039/D3NJ00493G).
A. S. Skrypnik , H. Lund, Q. Yang, and E. V. Kondratenko, Spatial analysis of CO₂ hydrogenation to higher hydrocarbons over alkali-metal promoted iron(II)oxalate-derived catalysts, Catal. Sci. Technol. 2023, 13, 4353-4359, (DOI: 10.1039/D3CY00143A).
T. Engl, M. Langer, H. Freund, M. Rubin, and R. Dittmeyer, Tap Reactor for Temporally and Spatially Resolved Analysis of the CO₂ Methanation Reaction, Chem. Ing. Tech. 2023, 95, 5, 658–667, (DOI: 10.1002/cite.202200204).
Ph. Timmer, T. Weber, L. Glatthaar, and H. Over, Operando CO Infrared Spectroscopy and On-Line Mass Spectrometry for Studying the Active Phase of IrO₂ in the Catalytic CO Oxidation Reaction, Inorganics 2023, 11, (3), 102, (DOI: 10.3390/inorganics11030102).
F. Hess, and H. Over, Coordination Inversion of the Tetrahedrally Coordinated Ru_4fSurface Complex on RuO₂(100) and Its Decisive Role in the Anodic Corrosion Process, ACS Catal. 2023, 13, 5, 3433-3443, (DOI: 10.1021/acscatal.2c06260).
B. Mockenhaupt, P. Schwiderowski, J. Jelic, F. Studt, M. Muhler, M. Behrens, High-Pressure Pulsing of Ammonia Results in Carbamate as Strongly Inhibiting Adsorbate of Methanol Synthesis over Cu/ZnO/Al2O3, J. Phys. Chem. C 127 (7) (2023) 3497–3505 (DOI: 10.1021/acs.jpcc.2c08823).
R. T. Zimmermann, S. Weber, J. Bremer, V. Idakiev, R. Pashminehazar, T. L. Sheppard, L. Mörl, K. Sundmacher, Core–shell catalyst pellets for effective reaction heat management, Chem. Eng. J. 457 (2023) 140921 (DOI: https://doi.org/10.1016/j.cej.2022.140921).
D. Kordus, J. Jelic, M. Lopez Luna, N. J. Divins, J. Timoshenko, S. W. Chee, C. Rettenmaier, J. Kröhnert, S. Kühl, A. Trunschke, R. Schlögl, F. Studt, B. Roldan Cuenya, Shape-Dependent CO2 Hydrogenation to Methanol over Cu2O Nanocubes Supported on ZnO, J. Am. Chem. Soc. 145 (5) (2023) 3016–3030 (DOI: 10.1021/jacs.2c11540).
L. Klag, T. L. Sheppard, J.-D. Grunwaldt, An Advanced Characterization Toolbox for Selective Olefin Oxidation Catalysts, ChemCatChem 15 (3) (2023) e202201276 (DOI: https://doi.org/10.1002/cctc.202201276).
W. Wang, Ph. Timmer, A. Spriewald-Luciano, Y. Wang, T. Weber, L. Glatthaar, Y. Guo, B. M. Smarsly, and H. Over, Inserted hydrogen promotes oxidation catalysis of mixed Ru_0.3Ti_0.7O₂ as exemplified with total propane oxidation and the HCl oxidation reaction, Catal. Sci. Technol. 2023, 13, 1395-1408, (DOI: 10.1039/D2CY02000A).

2022

F. T. Haase, A. Bergmann, T. E. Jones, J. Timoshenko, A. Herzog, H. S. Jeon, C. Rettenmaier, B. R. Cuenya, Size effects and active state formation of cobalt oxide nanoparticles during the oxygen evolution reaction, Nat. Energy 7 (8) (2022) 765–773 (DOI: 10.1038/s41560-022-01083-w).
B. B. Sarma, F. Maurer, D. E. Doronkin, J.-D. Grunwaldt, Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools, Chem. Rev. 123 (1) (2023) 379–444 (DOI: 10.1021/acs.chemrev.2c00495).
J. Weiß, Q. Yang, U. Bentrup, E. V Kondratenko, A. Brückner, C. Kubis, Operando DRIFT and In situ Raman Spectroscopic Studies on Aspects of CO2 Fischer-Tropsch Synthesis Catalyzed by Bulk Iron Oxide-Based Catalysts, ChemCatChem 14 (22) (2022) e202200577 (DOI: https://doi.org/10.1002/cctc.202200577).
C. Seidel, D. Nikolić, M. Felischak, M. Petkovska, A. Seidel-Morgenstern, A. Kienle, Forced Periodic Operation of Methanol Synthesis in an Isothermal Gradientless Reactor, Chem. Eng. \& Technol. 45 (12) (2022) 2261–2272 (DOI: https://doi.org/10.1002/ceat.202200286).
F. T. Haase, A. Rabe, F.-P. Schmidt, A. Herzog, H. S. Jeon, W. Frandsen, P. V. Narangoda, I. Spanos, K. Friedel Ortega, J. Timoshenko, T. Lunkenbein, M. Behrens, A. Bergmann, R. Schlögl, B. Roldan Cuenya, Role of Nanoscale Inhomogeneities in Co2FeO4 Catalysts during the Oxygen Evolution Reaction, J. Am. Chem. Soc. 144 (27) (2022) 12007–12019 (DOI: 10.1021/jacs.2c00850).
M. Frisch, M. H. Raza, M.-Y. Ye, R. Sachse, B. Paul, R. Gunder, N. Pinna, R. Kraehnert, ALD-Coated Mesoporous Iridium-Titanium Mixed Oxides: Maximizing Iridium Utilization for an Outstanding OER Performance, Adv. Mater. Interfaces 9 (6) (2022) 2102035 (DOI: https://doi.org/10.1002/admi.202102035).
J. Geppert, P. Röse, S. Pauer, U. Krewer, Microkinetic Barriers of the Oxygen Evolution on the Oxides of Iridium, Ruthenium and their Binary Mixtures, ChemElectroChem 9 (20) (2022) e202200481 (DOI: https://doi.org/10.1002/celc.202200481).
B. Kirchhoff, C. Jung, H. Jónsson, D. Fantauzzi, T. Jacob, Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes, J. Phys. Chem. C 126 (15) (2022) 6773–6781 (DOI: 10.1021/acs.jpcc.2c00472).
H. Türk, E. Landini, C. Kunkel, J. T. Margraf, K. Reuter, Assessing Deep Generative Models in Chemical Composition Space, Chem. Mater. 34 (21) (2022) 9455–9467 (DOI: 10.1021/acs.chemmater.2c01860).
M. Gäßler, J. Stahl, M. Schowalter, S. Pokhrel, A. Rosenauer, L. Mädler, R. Güttel, The Impact of Support Material of Cobalt-Based Catalysts Prepared by Double Flame Spray Pyrolysis on CO2 Methanation Dynamics, ChemCatChem 14 (16) (2022) e202200286 (DOI: https://doi.org/10.1002/cctc.202200286).
K. L. Abel, S. Weber, D. Poppitz, J. Titus, T. L. Sheppard, R. Gläser, Thermally stable mesoporous tetragonal zirconia through surfactant-controlled synthesis and Si-stabilization, RSC Adv. 12 (26) (2022) 16875–16885 (DOI: 10.1039/D2RA01459A).
Q. Yang, V. A. Kondratenko, S. A. Petrov, D. E. Doronkin, E. Saraçi, H. Lund, A. Arinchtein, R. Kraehnert, A. S. Skrypnik, A. A. Matvienko, E. V Kondratenko, Identifying Performance Descriptors in CO2 Hydrogenation over Iron-Based Catalysts Promoted with Alkali Metals, Angew. Chemie Int. Ed. 61 (22) (2022) e202116517 (DOI: https://doi.org/10.1002/anie.202116517).
G. Behrendt, N. Prinz, A. Wolf, L. Baumgarten, A. Gaur, J.-D. Grunwaldt, M. Zobel, M. Behrens, S. Mangelsen, Substitution of Copper by Magnesium in Malachite: Insights into the Synthesis and Structural Effects, Inorg. Chem. 61 (49) (2022) 19678–19694 (DOI: 10.1021/acs.inorgchem.2c01976).
A. Yoon, J. Poon, P. Grosse, S. W. Chee, B. R. Cuenya, Iodide-mediated Cu catalyst restructuring during CO2 electroreduction, J. Mater. Chem. A 10 (26) (2022) 14041–14050 (DOI: 10.1039/D1TA11089F).
M. Yang, J. Yu, A. Zimina, B. B. Sarma, L. Pandit, J.-D. Grunwaldt, L. Zhang, H. Xu, J. Sun, Probing the Nature of Zinc in Copper-Zinc-Zirconium Catalysts by Operando Spectroscopies for CO2 Hydrogenation to Methanol, Angew. Chemie Int. Ed. 62 (7) (2023) e202216803 (DOI: https://doi.org/10.1002/anie.202216803).
R. T. Zimmermann, J. Bremer, K. Sundmacher, Optimal Catalyst-Reactor Design for Load-Flexible CO2 Methanation by Multi-Period Design Optimization, in 14th International Symposium on Process Systems Engineering, 49 Y. Yamashita and M. Kano, Eds. in Computer Aided Chemical Engineering, vol. 49. Elsevier (2022) 841–846.(DOI: https://doi.org/10.1016/B978-0-323-85159-6.50140-8).
R. Sachse, V.-D. Hodoroaba, R. Kraehnert, A. Hertwig, Multilevel effective material approximation for modeling ellipsometric measurements on complex porous thin films, Adv. Opt. Technol. 11 (3–4) (2022) 137–147 (DOI: doi:10.1515/aot-2022-0007).
T. Weber, V. Vonk, M.J.S. Abb, J. Evertsson, A. Stierle, E. Lundgren, and H. Over, In Situ Synchrotron-Based Studies of IrO₂(110)-TiO₂(110) under Harsh Acidic Water Splitting Conditions: Anaodic Stability and Radiation Damages, J. Phys. Chem. C 2022, 126, 48, 20243-20250 (DOI: 10.1021/acs.jpcc.2c06429).
M. L. Weber, G. Lole, A. Kormanyos, A. Schwiers, L. Heymann, F. D. Speck, T. Meyer, R. Dittmann, S. Cherevko, C. Jooss, C. Baeumer, and F.Gunkel, Atomistic Insights into Activation and Degradation of La0.6Sr0.4CoO3−δ Electro- catalysts under Oxygen Evolution Conditions, J. Am. Chem. Soc. 2022, 144, 39, 17966–17979, (DOI: 10.1021/jacs.2c07226).
L. Heymann, M. L Weber, M. Wohlgemuth, M. Risch, R. Dittmann, C. Baeumer, Felix Gunkel, Separating the Effects of Band Bending and Covalency in Hybrid Perovskite Oxide Electrocatalyst Bilayers for Water Electrolysis,ACS Appl. Mater. Interfaces 2022, 14, 12, 14129–14136, (DOI: 10.1021/acsami.1c20337).
M. Wohlgemuth, M. L Weber, L. Heymann, C. Baeumer*, F. Gunkel, Activity-Stability Relationships in Oxide Electrocatalysts for Water Electrolysis, Front. Chem.2022, 10, 913419, (DOI: 10.3389/fchem.2022.913419).
J. Geppert, P. Röse, S.Czioska, D. Escalera-López, A. Boubnov, E. Saraçi, S. Cherevko, J.-D. Grunwaldt, and U. Krewer, Microkinetic Analysis of the Oxygen Evolution Performance at Different Stages of Iridium Oxide Degradation, J. Am. Chem. Soc. 2022, 144, 29, 13205–13217, (DOI: doi.org/10.1021/jacs.2c03561).
G. Behrendt, B. Mockenhaupt, N. Prinz, M. Zobel, E. J. Ras, M. Behrens, CO Hydrogenation to Methanol over Cu/MgO Catalysts and Their Synthesis from Amorphous Magnesian Georgeite Precursors, ChemCatChem 2022, 14, e2022002, (DOI: doi.org/10.1002/cctc.202200299)
S. Czioska, K. Ehelebe, J. Geppert, D. Escalera-López, A. Boubnov, E. Saraçi, B. Mayerhöfer, U. Krewer, S. Cherevko, J.-D. Grunwaldt, Heating up the OER: Investigation of IrO2 OER Catalysts as Function of Potential and Temperature, ChemElectroChem 2022, 9, e20220051, (DOI: doi.org/10.1002/celc.202200514)
J. Pazdera, Jakub, D. Issayeva, J. Titus, Juliane, R. Glaser, O. Deutschmann, A. Jentys, Impact of the Local Environment of Amines on the Activity for CO2 Hydrogenation over Bifunctional Basic - Metallic Catalysts, ChemCatChem 2022, 14, e2022006, (DOI: 10.1002/cctc.202200620)
S. Das, R. Pashminehazar, S. Sharma, S. Weber, T. Sheppard, New Dimensions in Catalysis Research with Hard X-Ray Tomography, Chemie Ingenieur Technik 2022, 94. 1591-1610, (DOI: 10.1002/cite.202200082)
D. Weber, K. M. Wadlinger, M. M. Heinlein, T. Franken, Modifying Spinel Precursors for Highly Active and Stable Ni-based CO2 Methanation Catalysts, ChemCatChem 2022, e202200563, (DOI: 10.1002/cctc.202200620)
K. L. Abel, T. Beger, D. Poppitz, R. T. Zimmermann, O. Kuschel, K. Sundmacher, R. Glaeser, Monolithic Al2O3 Xerogels with Hierarchical Meso-/Macropore System as Catalyst Supports for Methanation of CO2, ChemCatChem 2022, 14, e202200288 (DOI: 10.1002/cctc.202200288)
S. Schlicher, N. Prinz, J. Buerger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J. K. N. Lindner, V. Schuenemann, S. Kureti, M. Bauer, Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation, Catalysts 2022, 12, 675. (DOI: 10.3390/catal12060675)
K.L. Abel, S. Weber, D. Poppitz, J. Titus, T. L. Sheppard, R. Glaeser, Thermally stable mesoporous tetragonal zirconia through surfactant-controlled synthesis and Si-stabilization, RSC Advances 2022, 12, 16875-16885, (DOI: 10.1039/d2ra01459a)
A. Arinchtein, M. Y. Ye, Q. X. Yang, C. Kreyenschulte, A. Wagner, M. Frisch, A. Brueckner, E. Kondratenko, R. Kraehnert, Dynamics of Reaction-Induced Changes of Model-Type Iron Oxide Phases in the CO2-Fischer-Tropsch-Synthesis, ChemCatChem 2022, 14, e202200240, (DOI: 10.1002/cctc.202200240)
R. Sachse, M. Moor, R. Kraehnert, V. D. Hodoroaba, A. Hertwig, Ellipsometry-Based Approach for the Characterization of Mesoporous Thin Films for H-2 Technologies, Advanced Engineering Materials 2022, 24, 2101320, (DOI: 10.1002/adem.202101320)
S. Weber, R. T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Wendholt, Q. X. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. H. Huang, C. Kuebel, E. Kondratenko, M. Bauer, M. Baeumer, M. Zobel, R. Glaeser, K. Sundmacher, T. L. Sheppard, Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation, ChemCatChem 2022, 14, e202101878, (DOI: 10.1002/cctc.202101878)
S. Weber, A. Diaz, M. Holler, A. Schropp, M. Lyubomirskiy, K. L. Abel, M. Kahnt, A. Jeromin, S. Kulkarni, T. F. Keller, R. Glaser, Roger T. L. Sheppard, Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X-Ray Ptychography, Advanced Science 2022, 9, 2105432, (DOI: 10.1002/advs.202105432)
F. Hess, S. Rohrlack, M. Knapp, H. Over, Evidence of a Tetrahedrally Coordinated RuO4 Surface Complex on RuO2(100): Density Functional Theory and Beyond, Journal of Physical Chemistry C 2022, 126, 946-956, (DOI: 10.1021/acs.jpcc.1c08787)
R. Amirbeigiarab, J. Tian, A. Bagger, Jan Rossmeisl, O. Magnussen: Structure of the (bi)carbonate adlayer on Cu(100) electrodes. Angew. Chem. Int. Ed. 2022, e202211360 (DOI: 10.1002/anie.202211360).
G. Behrendt, B. Mockenhaupt, N. Prinz, M. Zobel, E.J. Ras and M. Behrens: CO Hydrogenation to Methanol over Cu/MgO Catalysts and Their Synthesis from Amorphous Magnesian Georgeite Precursors, ChemCatChem2022,14, e20220029 (2022) (DOI: 10.1002/cctc.202200299).
M. Rüscher, A. Herzog, J. Timoshenko, H. Jeon, W. Frandsen, S. Kühl and B. Roldan Cuenya: Tracking heterogeneous structural motifs and the redox behaviour of copper-zinc nanocatalysts for the electrocatalytic CO2 reduction using operando time resolved spectroscopy and machine learning, Catalysis Science & Technology 12 (9), 3028–3043 (2022). (DOI: 10.1039/D2CY00227B).
J. Timoshenko, A. Bergmann, C. Rettenmaier, A. Herzog, R. M. Arán-Ais, H. S. Jeon, F. T. Haase, U. Hejral, P. Grosse, S. Kühl, E. M. Davis, J.Tian, O. Magnussen, B. R. Cuenya, Steering the structure and selectivity of CO2 electroreduction catalysts by potential pulses. Nat Catal 5, 259–267 (2022). (DOI: 10.1038/s41929-022-00760-z).
N. Daems, D. Choukroun, P. Merino, C. Rettenmaier, L. Pacquets, A. Bergmann, G. Santoro, L. Vázquez, L. Martínez, B. Roldan Cuenya, J. A. M. Gago, T. Breugelmans, Steering Hydrocarbon Selectivity in CO2 Electroreduction over Soft-Landed CuOx Nanoparticle-Functionalized Gas Diffusion Electrodes, ACS Appl. Mater. Interfaces 2022, 14, 2691−2702 (DOI:10.1021/acsami.1c17998).
S. Weber, A. Diaz, M. Holler, A. Schropp, M. Lyubomirskiy, K. L. Abel, M. Kahnt, A. Jeromin, S. Kulkarni, T. F. Keller, R. Gläser, T. L. Sheppard, Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X-Ray Ptychography, Advanced Science 9,8 (2022) (DOI: 10.1002/advs.202105432).
S. Weber, R.T. Zimmermann, J. Bremer, K. L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S.Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X.Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation, ChemCatChem (2022) (DOI:10.1002/cctc.202101878).
D. Nikolić, C. Seidel, M. Felischak, T. Miličić, A. Kienle, A. Seidel-Morgenstern, M. Petkovska, Forced periodic operations of a chemical reactor for methanol synthesis – the search for the best scenario based on Nonlinear Frequency Response Method. Part I Single input modulations, Chemical Engineering Science 248 (2022) 117134 (DOI: 10.1016/j.ces.2021.117134).
D. Nikolić, C. Seidel, M. Felischak, T. Miličić, A. Kienle, A. Seidel-Morgenstern, M. Petkovska, Forced periodic operations of a chemical reactor for methanol synthesis - the search for the best scenario based on Nonlinear Frequency Response Method. Part II Simultaneous modulation of two inputs, Chemical Engineering Science 248 (2022) 117133 (DOI: 10.1016/j.ces.2021.117133).
R. T. Zimmermann, J. Bremer, K. Sundmacher, Load-flexible fixed-bed reactors by multi-period design optimization, Chem. Eng. J. 428 (2022) 130771 (DOI: 10.1016/j.cej.2021.130771).

2021

H. Over, Fundamental Studies of Planar Single-Crystalline Oxide Model Electrodes (RuO2, IrO2) for Acidic Water Splitting, ACS Catal. 11 (14) (2021) 8848–8871 (DOI: 10.1021/acscatal.1c01973).
M. Frisch, M.-Y. Ye, M. Hamid Raza, A. Arinchtein, D. Bernsmeier, A. Gomer, T. Bredow, N. Pinna, R. Kraehnert, Mesoporous WCx Films with NiO-Protected Surface: Highly Active Electrocatalysts for the Alkaline Oxygen Evolution Reaction, ChemSusChem 14 (21) (2021) 4708–4717 (DOI: https://doi.org/10.1002/cssc.202101243).
J. Bremer, K. Sundmacher, Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors, Front. Energy Res. 8 (2021) (DOI: 10.3389/fenrg.2020.549298).
O. Khalid, A. Spriewald Luciano, G. Drazic, H. Over, Mixed RuxIr1−xO2 Supported on Rutile TiO2: Catalytic Methane Combustion, a Model Study, ChemCatChem 13 (18) (2021) 3983–3994 (DOI: https://doi.org/10.1002/cctc.202100858).
C. Van Pham, D. Escalera-López, K. Mayrhofer, S. Cherevko, S. Thiele, Essentials of High Performance Water Electrolyzers – From Catalyst Layer Materials to Electrode Engineering, Adv. Energy Mater. 11 (44) (2021) 2101998 (DOI: https://doi.org/10.1002/aenm.202101998).
B. J. M. Etzold, U. Krewer, S. Thiele, A. Dreizler, E. Klemm, T. Turek, Understanding the activity transport nexus in water and CO2 electrolysis: State of the art, challenges and perspectives, Chem. Eng. J. 424 (2021) 130501 (DOI: https://doi.org/10.1016/j.cej.2021.130501).
J. M. Hermann, H. Müller, L. Daccache, C. Adler, S. Keller, M. Metzler, T. Jacob, L. A. Kibler, Formic acid oxidation reaction on Au(111) electrodes modified with 4-mercaptopyridine SAM, Electrochim. Acta 388 (2021) 138547 (DOI: https://doi.org/10.1016/j.electacta.2021.138547).
H. Türk, F.-P. Schmidt, T. Götsch, F. Girgsdies, A. Hammud, D. Ivanov, I. C. Vinke, L. G. J. (Bert) de Haart, R.-A. Eichel, K. Reuter, R. Schlögl, A. Knop-Gericke, C. Scheurer, T. Lunkenbein, Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells, Adv. Mater. Interfaces 8 (18) (2021) 2100967 (DOI: https://doi.org/10.1002/admi.202100967).
T. Götsch, H. Tuerk, F.-P. Schmidt, I. C. Vinke, L. G. J. (Bert) De Haart, R. Schlögl, K. Reuter, R.-A. Eichel, A. Knop-Gericke, C. Scheurer, T. Lunkenbein, Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions?, ECS Trans. 103 (1) (2021) 1331 (DOI: 10.1149/10301.1331ecst).
A. Lončar, D. Escalera-López, S. Cherevko, N. Hodnik, Inter-relationships between Oxygen Evolution and Iridium Dissolution Mechanisms, Angew. Chemie Int. Ed. 61 (14) (2022) e202114437 (DOI: https://doi.org/10.1002/anie.202114437).
R. T. Zimmermann, J. Bremer, K. Sundmacher, Multi-Period Design Optimization of Flexible Fixed-Bed Reactors by Stoichiometry-Based Model Reduction, in 31st European Symposium on Computer Aided Process Engineering, 50 M. Türkay and R. Gani, Eds. in Computer Aided Chemical Engineering, vol. 50. Elsevier (2021) 947–952.(DOI: https://doi.org/10.1016/B978-0-323-88506-5.50146-7).
J. Pazdera, E. Berger, J. A. Lercher, A. Jentys, Conversion of CO2 to methanol over bifunctional basic-metallic catalysts, Catal. Commun. 159 (2021) 106347 (DOI: https://doi.org/10.1016/j.catcom.2021.106347).
T. Weber, V. Vonk, D. Escalera-López, G. Abbondanza, A. Larsson, V. Koller, M. J. S. Abb, Z. Hegedüs, T. Bäcker, U. Lienert, G. S. Harlow, A. Stierle, S. Cherevko, E. Lundgren, H. Over, Operando Stability Studies of Ultrathin Single-Crystalline IrO2(110) Films under Acidic Oxygen Evolution Reaction Conditions, ACS Catal. 11 (20) (2021) 12651–12660 (DOI: 10.1021/acscatal.1c03599).
K. Ehelebe, D. Escalera-López, S. Cherevko, Limitations of aqueous model systems in the stability assessment of electrocatalysts for oxygen reactions in fuel cell and electrolyzers, Curr. Opin. Electrochem. 29 (2021) 100832 (DOI: https://doi.org/10.1016/j.coelec.2021.100832).
P. Grosse, A. Yoon, C. Rettenmaier, A. Herzog, S.W. Chee and B. Roldan Cuenya: Dynamic transformation of cubic copper catalysts during CO2 electroreduction and its impact on catalytic selectivity. Nature Communications 12, 6736 (2021) (DOI: 10.1038/s41467-021-26743-5).
L. Pandit, M.A. Serrer, E. Saraci, A. Boubnov, J.-D. Grunwaldt, Versatile in situ/operando Setup for Studying Catalysts by X-Ray Absorption Spectroscopy under Demanding and Dynamic Reaction Conditions for Energy Storage and Conversion, Chemistry-Methods (2021) accepted (DOI: 10.1002/cmtd.202100078).
H. Ridder, C. Sinn, G. R. Pesch, W. Dreher, J. Thöming, Spatially resolved direct gas-phase thermometry in chemical reactors using NMR, Chemical Engineering Journal (2021) 133583 (DOI: 10.1016/j.cej.2021.133583).
J. Weiß, C. Rautenberg, T. Rall, C. Kubis, E. Kondratenko, U. Bentrup, A. Brückner, A Versatile Ambient-to-High-Pressure Reaction Transmission Cell for in situ/operando Infrared Spectroscopic Investigations, Chemistry-Methods 1/7 (2021) 308-314 (DOI: 10.1002/cmtd.202100024).
J. Pazdera, E. Berger, J. A. Lercher, A. Jentys, Conversion of CO2 to methanol over bifunctional basic-metallic catalysts, Catalysis Communications 159 (2021) 106347 (DOI: 10.1016/j.catcom.2021.106347).
S. Weber, D. Batey, S. Cipiccia, M. Stehle, K. L. Abel, R. Gläser, T. L. Sheppard, Hard X-ray Nanotomography for 3D Analysis of Coking in Nickel-based Catalysts, Angew. Chem. Int. Ed. 60/40 (2021) 21772-21777 (DOI: 10.1002/anie.202106380).
A. Arinchtein, M.-Y. Ye, M. Geske, M. Frisch, R. Kraehnert, Influence of Phase Composition and Pretreatment on the Conversion of Iron Oxides into Iron Carbides in Syngas Atmospheres, Catalysts 11/7 (2021) 773 (DOI: 10.3390/catal11070773).
L. Pandit, A. Boubnov, G. Behrendt, B. Mockenhaupt, C. Chowdhury, J. Jelic, A.-L. Hansen, E. Saraçi, E.-J. Ras, M. Behrens, F. Studt, J.-D. Grunwaldt, Unravelling the Zn-Cu Interaction during Activation of a Zn-promoted Cu/MgO Model Methanol Catalyst, ChemCatChem 13/19 (2021) 4120-4132 (DOI: 10.1002/cctc.202100692).
S. Czioska, A. Boubnov, D. Escalera-Lopez, J. Geppert, A. Zagalskaya, P. Röse, E. Saraçi, V. Alexandrov, U. Krewer, S. Cherevko, J.-D. Grunwaldt, Increased Ir-Ir Interaction in Iridium Oxide during the Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy, ACS Catalysis 11 (2021) 10043–10057 (DOI: 10.1021/acscatal.1c02074).
C. Seidel, D. Nikolic, M. Felischak, M. Petkovska, A. Seidel-Morgenstern, A. Kienle, Optimization of methanol synthesis under forced periodic operation, Processes 9/5 (2021) 872 (DOI: 10.3390/pr9050872).
A. S. Skrypnik, Q. Yang, A. A. Matvienko, V. Yu. Bychkov, Yu. P. Tulenin, H. Lund, S. A. Petrov, R. Kraehnert, A. Arinchtein, J. Weiss, A. Brueckner, E. V. Kondratenko, Understanding reaction-induced restructuring of well-defined FexOyCz compositions and its effect on CO2 hydrogenation, Applied Catalysis B: Environmental 291 (2021) 120121 (DOI: 10.1016/j.apcatb.2021.120121).
J. Becher, S. Weber, D. Ferreira Sanchez, D. E. Doronkin, J. Garrevoet, G. Falkenberg, D. Motta Meira, S. Pascarelli, J.-D. Grunwaldt, T. L. Sheppard, Sample Environment for Operando Hard X-ray Tomography — An Enabling Technology for Multimodal Characterization in Heterogeneous Catalysis, Catalysts 11 (2021) 459 (1-18) (DOI: 10.3390/catal11040459).
C. Sinn, J. Wentrup, G. R. Pesch, J. Thöming, Heat Transport in Open-Cell Foams: CFD Analysis of Artificial Heat Sources vs Fully Resolved Exothermal Reactions, Ind. Eng. Chem. Res. 60/12 (2021) 4542-4551 (DOI: 10.1021/acs.iecr.0c05982).
D. Escalera López, S. Czioska, J. Geppert, A. Boubnov, P. Röse, E. Saraҫi, U. Krewer, J.-D. Grunwaldt, S. Cherevko, Phase and surface composition-dependent electrochemical stability of Ir-Ru nanoparticles during oxygen evolution reaction, ACS Catalysis 11 (2021) 9300-9316 (DOI: 10.1021/acscatal.1c01682).
M.-A. Serrer, M. Stehle, M. L. Schulte, H. Besser, W. Pfleging, E. Saraçi, J.-D. Grunwaldt, Spatially-Resolved Insights Into Local Activity and Structure of Ni-based CO2 Methanation Catalysts in Fixed-bed Reactors, ChemCatChem (2021) (DOI: 10.1002/cctc.202100490).
C. Zhan, F. Dattila, C. Rettenmaier, A. Bergmann, S. Kühl, R. García-Muelas, N. López, B. Roldan Cuenya, Revealing the CO Coverage Driven C-C Coupling Mechanism for Electrochemical CO2 Reduction on Cu2O Nanocubes via Operando Raman Spectroscopy, ACS Catalysis (2021) accepted (DOI: 10.1021/acscatal.1c01478).
M. Lopez Luna, J. Timoshenko, D. Kordus, C. Rettenmaier, S. W. Chee, A. Hoffman, S. R. Bare, S. Shaikhutdinov, B. Roldan Cuenya, Role of the Oxide Support on the Structural and Chemical Evolution of Fe Catalysts during the Hydrogenation of CO2, ACS Catalysis 11 (2021) 6175 (DOI: 10.1021/acscatal.1c01549).
J. Stahl, J. Ilsemann, S. Pokhrel, M. Schowalter, C. Tessarek, A. Rosenauer, M. Eickhoff, M. Bäumer, L. Mädler, Comparing Co-catalytic Effects of ZrOx, SmOx, and Pt on COx Methanation over Co-based Catalysts Prepared by Double Flame Spray Pyrolysis, ChemCatChem (2021) (DOI: 10.1002/cctc.202001998).
H. Ridder, C. Sinn, G. R. Pesch, J. Ilsemann, W. Dreher, J. Thöming, A large fixed bed reactor for MRI operando experiments at elevated temperature and pressure, Review of Scientific Instruments 92 (2021) 043711 (DOI: 10.1063/5.0044795).
H. S. Jeon, J. Timoshenko, C. Rettenmaier, A. Herzog, A. Yoon, S. W. Chee, S. Oener, U. Hejral, F. T. Haase, B. Roldan Cuenya, Selectivity control of Cu nanocrystals in a gas-fed flow cell through CO2 pulsed electroreduction, J. Am. Chem. Soc. 143/19 (2021) 7578-7587 (DOI: 10.1021/jacs.1c03443).
J. Geppert, F. Kubannek, P. Röse, U. Krewer, Identifying the Oxygen Evolution Mechanism by Microkinetic Modelling of Cyclic Voltammograms, Electrochimica Acta (2021) (DOI: 10.1016/j.electacta.2021.137902).
K. L. Fischer, H. Freund, Intensification of Load Flexible Fixed Bed Reactors by Optimal Design of Staged Reactor Setups, Chemical Engineering and Processing - Process Intensification 159 (2021) 108183 (DOI: 10.1016/j.cep.2020.108183).
M. Felischak, L. Kaps, C. Hamel, D. Nikolic, M. Petkovska, A. Seidel-Morgenstern, Analysis and experimental demonstration of forced periodic operation of an adiabatic stirred tank reactor: Simultaneous modulation of inlet concentration and total flow-rate, Chemical Engineering Journal 410 (2021) 128197 (DOI: 10.1016/j.cej.2020.128197).
A. Herzog, A. Bergmann, H. Sang Jeon, J. Timoshenko, S. Kühl, C. Rettenmaier, M. Lopez Luna, F. T. Haase, B. Roldán Cuenya, Operando Investigation of Ag‐decorated Cu2O Nanocube Catalysts with enhanced CO2 Electroreduction toward Liquid Products, Angew. Chem. Int. Ed. 60/13 (2021) 7426-7435 (DOI: 10.1002/anie.202017070).
S. W. Chee, T. Lunkenbein, R. Schlögl, B. Roldan Cuenya, In situ and Operando Electron Microscopy in Heterogeneous Catalysis – Insights into Multi-Scale Chemical Dynamics, J. Phys. Condens. Matter 33 (2021) 153001 (DOI: 10.1088/1361-648X/abddfd).
J. Timoshenko, B. Roldan Cuenya, In situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy, Chem. Rev. 121 (2021) 882 (DOI: 10.1021/acs.chemrev.0c00396).
G. H. Simon, C. S. Kley, B. Roldan Cuenya, Potential-dependent Morphology of Copper Catalysts During CO2 Electroreduction Revealed by In Situ Atomic Force Microscopy, Angew. Chem. Int. Ed. 60 (2021) 2561 (DOI: 10.1002/anie.202010449).
C. Sinn, J. Wentrup, G. R. Pescha, J. Thöming, L. Kiewidt, Structure-heat transport analysis of periodic open-cell foams to be used as catalyst carriers, Chemical Engineering Research and Design 166 (2021) 209-219 (DOI: 10.1016/j.cherd.2020.12.007).

2020

C. Seidel, A. Kienle, Methanol kinetics from optimal dynamic experiments, Computer Aided Chem. Eng. 84 (2020) 745-750 (DOI: 10.1016/B978-0-12-823377-1.50002-1).
M.-A. Serrer, A. Gaur, J. Jelic, S. Weber, C. Fritsch, A. H. Clark, E. Saraçi, F. Studt, J.-D. Grunwaldt, Structural dynamics in Ni–Fe catalysts during CO2 methanation – role of iron oxide clusters, Catal. Sci. Technol. 10 (2020) 7542 (DOI: 10.1039/d0cy01396j).
J. Bitzer, A. Titze-Alonso, A. Roshdy, W. Kleist, The introduction of functional side groups and the application of the mixed-linker concept in divalent MIL-53(Ni) materials, Dalton Trans. 49 (2020) 9148-9154 (DOI: 10.1039/D0DT01222J).
C. Sinn, F. Kranz, J. Wentrup, J. Thöming, G. D. Wehinger, G. R. Pesch, CFD Simulations of Radiative Heat Transport in Open-Cell Foam Catalytic Reactors, Catalysts 10(6) (2020) 716 (DOI: 10.3390/catal10060716).
C. Sinn, J. Wentrup, J. Thöming, G. R. Pesch, Influence of Pressure, Velocity and Fluid Material on Heat Transport in Structured Open-Cell Foam Reactors Investigated Using CFD Simulations, ChemEngineering 4(4) (2020) 61 (DOI: 10.3390/chemengineering4040061).
S. Weber, K. L. Abel, R. T. Zimmermann, X. Huang, J. Bremer, L. K. Rihko-Struckmann, D. Batey, S. Cipiccia, J. Titus, D. Poppitz, C. Kübel, K. Sundmacher, R. Gläser, T. L. Sheppard, Porosity and Structure of Hierarchically Porous Ni/Al2O3 Catalysts for CO2 Methanation, Catalysts 10(12) (2020) 1471 (DOI: 10.3390/catal10121471).
T. Weber, V. Vonk, M.J.S. Abb, J. Evertsson, M. Sandroni, J. Drnec, A. Stierle, E. Lundgren, H. Over, Extraordinary Stability of IrO2(110) Ultrathin Films Supported on TiO2(110) under Cathodic Polarization, J. Phys. Chem. Lett. 11 (2020) 9057-9062 (DOI: 10.1021/acs.jpclett.0c02730).
T. Weber, M.J.S. Abb, J. Evertsson, M. Sandroni, J. Drnec, V. Vonk, A. Stierle, E. Lundgren, H. Over, In situ studies of the cathodic stability of singel-crystalline IrO2(110) ultrathin films supported on RuO2(110)/Ru(0001) in an acidic environment, Phys. Chem. Chem. Phys. 22 (2020) 22956-22962 (DOI: 10.1039/D0CP03811C).
M. Behrens, G. Behrendt, Insight into Catalysts for Methanol Synthesis, ChemistryViews (2020) (DOI: 10.1002/chemv.202000066).
Q. Yang, A. Skrypnik, A. Matvienko, H. Lund, M. Holena, E. V. Kondratenko, Revealing property-performance relationships for efficient CO2 hydrogenation to higher hydrocarbons over Fe-based catalysts: Statistical analysis of literature data and its experimental validation, Applied Catalysis B: Environmental 282 (2021) 119554 (DOI: 10.1016/j.apcatb.2020.119554). Full text.
A. Arinchtein, R. Schmack, K. Kraffert, J. Radnik, P. Dietrich, R. Sachse, R. Kraehnert, Role of Water in Phase Transformations and Crystallization of Ferrihydrite and Hematite, ACS Applied Materials & Interfaces (2020) (DOI: 10.1021/acsami.0c05253).
N. Prinz, L. Schwensow, S. Wendholt, A. Jentys, M. Bauer, W. Kleist, M. Zobel, Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition, Nanoscale 12 (2020) 15800–15813 (DOI: 10.1039/D0NR01750G).
R. T. Zimmermann, J. Bremer, K. Sundmacher, Catalyst Particles for CO2 Methanation Reactors, ChemistryViews (2020) (DOI: 10.1002/chemv.202000061).
S. Weber, Seeing is Believing – Understanding Catalyst Function in 3D by Imaging, ChemistryViews (2020) (DOI: 10.1002/chemv.202000054).
T. Weber, T. Ortmann, D. Escalera‐López, M. J. S. Abb, B. Mogwitz. S. Cherevko, M. Rohnke, H. Over, Visualizing Potential‐Induced Pitting Corrosion of Ultrathin Single‐Crystalline IrO2(110) Films on RuO2(110)/Ru(0001) under Electrochemical Water Splitting Conditions, ChemCatChem 12 (2020) 855-866 (DOI: 10.1002/cctc.201901674).
K. L. Fischer, H. Freund. On the optimal design of load flexible fixed bed reactors: Integration of dynamics into the design problem. Chemical Engineering Journal 393 (2020) 124722 (DOI: 10.1016/j.cej.2020.124722).
J.-J. Velasco-Vélez, C.-H. Chuang, D. Gao, Q. Zhu, D. Ivanov, H.-S. Jeon, R. Arrigo, R. Mom, E. Stotz, H.-L. Wu, T. Jones, B. Roldan Cuenya, A. Knop-Gericke, R. Schlögl, On the activity/selectivity and phase-stability of thermally-grown copper oxides during the electrocatalytic reduction of CO2, ACS Catalysis 10 (2020) 11510 (DOI: 10.1021/acscatal.0c03484).
S. Kunze, P. Grosse, M. T. Bernal Lopez, I. Sinev, I. Zegkinoglou, H. Mistry, J. Timoshenko, M. Y. Hu, J. Zhao, E. E. Alp, S. W. Chee, B. Roldan Cuenya, Operando NRIXS and XAFS Investigation of Segregation Phenomena in Fe-Cu and Fe-Ag Nanoparticle Catalysts during CO2 Electroreduction, Angew. Chem. Int. Ed. 59 (2020) 22667 (DOI: 10.1002/anie.202010535).
F. Franco, C. Rettenmaier, H. S. Jeon, B. Roldan Cuenya, Transition metal-based catalysts for the electrochemical CO2 reduction: from atoms and molecules to nanostructured materials, Chem. Soc. Rev. 49 (2020) 6884 (DOI: 10.1039/D0CS00835D).
J. Timoshenko, H. S. Jeon, I. Sinev, F. T. Haase, A. Herzog, B. Roldan Cuenya, Linking the evolution of catalytic properties and structural changes in copper–zinc nanocatalysts using operando EXAFS and neural-networks, Chemical Science 11 (2020) 3727 (DOI: 10.1039/d0sc00382d).
M. Loewert, M.-A. Serrer, T. Carambia, M. Stehle, A. Zimina, K. F. Kalz, H. Lichtenberg, E. Saraçi, P. Pfeifer, J.-D. Grunwaldt, Bridging the gap between industry and synchrotron: an operando study at 30 bar over 300 h during Fischer–Tropsch synthesis, Reaction Chemistry & Engineering 5 (2020) 1071-1082 (DOI: 10.1039/C9RE00493A).
R. Zimmermann, J. Bremer, K. Sundmacher, Optimal Catalyst Particle Design for Flexible Fixed-Bed CO2 Methanation Reactors, Chemical Engineering Journal 387 (2020) 123704 (DOI: 10.1016/j.cej.2019.123704).

2019

O. Khalid, T. Weber, G. Drazic, I. Djerdj, H. Over, Mixed RuxIr1–xO2 Oxide Catalyst with Well-Defined and Varying Composition Applied to CO Oxidation, J. Phys. Chem. C 124 (34) (2020) 18670–18683 (DOI: 10.1021/acs.jpcc.0c06392).
K. L. Fischer, M. R. Langer, H. Freund, Dynamic Carbon Dioxide Methanation in a Wall-Cooled Fixed Bed Reactor: Comparative Evaluation of Reactor Models, Industrial & Engineering Chemistry Research 58 (42) (2019) 19406-19420 (DOI: 10.1021/acs.iecr.9b02863).
A. Gautam, M. Sadowski, N. Prinz, H. Eickhoff, N. Minafra, M. Ghidiu, S. P. Culver, K. Albe, T. F. Fässler, M. Zobel, W. G. Zeier, Rapid crystallization and kinetic freezing of site-disorder in the lithium superionic argyrodite Li6PS5Br, Chemistry of Materials 31 (2019) 10178-10185 (DOI: 10.1021/acs.chemmater.9b03852).
K. Exner, H. Over, Beyond the Rate-Determining Step in the Oxygen Evolution Reaction over a Single-Crystalline IrO2(110) Model Electrode: Kinetic Scaling Relations, ACS Catalysis 9 (8) (2019) 6755-6765 (DOI: 10.1021/acscatal.9b01564).
T. Weber, J. Pfrommer, M. J. S. Abb, B. Herd, O. Khalid, M. Rohnke, P. H. Lakner, J. Evertsson, S. Volkov, F. Bertram, R. Znaiguia, F. Carla, V. Vonk, E. Lundgren, A. Stierle, H. Over, Potential-Induced Pitting Corrosion of a IrO2 (110)-RuO2(110)/Ru(0001) Model Electrode Under Oxygen Evolution Reaction Conditions, ACS Catalysis 9 (7) (2019) 6530-6539 (DOI: 10.1021/acscatal.9b01402).
C. Sinn, G. Pesch, J. Thöming, L. Kiewidt, Coupled conjugate heat transfer and heat production in open-cell ceramic foams investigated using CFD, International Journal of Heat and Mass Transfer 139 (2019) 600-612 (DOI: 10.1016/j.ijheatmasstransfer.2019.05.042).
S. L. J. Thomae, N. Prinz, T. Hartmann, M. Teck, S. Correll, M. Zobel, Pushing data quality for laboratory pair distribution function experiments, Review of Scientific Instruments 90 (2019) 043905 (DOI: 10.1063/1.5093714).

2017

K. F. Kalz, R. Kraehnert, M. Dvoyashkin, R. Dittmeyer, R. Gläser, U. Krewer, K. Reuter, J.-D. Grunwaldt, Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions, ChemCatChem 9 (2017) 17-29 (DOI: 10.1002/cctc.201600996).

SPP 2080

Ausschreibungstext DFG zum Schwerpunktprogramm "Katalysatoren und Reaktoren unter dynamischen Betriebsbedingungen für die Energiespeicherung und -wandlung" (SPP 2080), Direktlink.
Pressmitteilung zu Schwerpunktprogrammen der DFG 2018: Direktlink.