Publikationen
2024
Zeitschriftenaufsätze
Lott, P.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2024). A review on exhaust gas after-treatment of lean-burn natural gas engines – From fundamentals to application. Applied Catalysis B: Environmental, 340, Art.Nr.: 123241. doi:10.1016/j.apcatb.2023.123241
Perret, L.; Boukis, N.; Sauer, J. (2024). Synthesis gas fermentation at high cell density: How pH and hydrogen partial pressure affect productivity and product ratio in continuous fermentation. Bioresource Technology, 391 (Part A), Art.-Nr.: 129894. doi:10.1016/j.biortech.2023.129894
Zhao, D.; Kondratenko, V. A.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Kondratenko, E. V. (2024). Effect of supports on the kind of in-situ formed ZnOₓ species and its consequence for non-oxidative propane dehydrogenation. Catalysis Today, 428, Art.-Nr.: 114444. doi:10.1016/j.cattod.2023.114444
2023
Buchaufsätze
Becher, J.; Sheppard, T.; Grunwaldt, J.-D. (2023). X-Ray Microscopy and Tomography. Springer Handbook of Advanced Catalyst Characterization. Ed.: I. Wachs, 689–738, Springer International Publishing. doi:10.1007/978-3-031-07125-6_32
Dissertationen
Amsler, J. (2023, Mai 3). Development of Anharmonic Molecular Models and Simulation of Reaction Kinetics in Zeolite Catalysis. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000158254
Baehr, C. (2023, Februar 14). Charakterisierung des Alterungsverhaltens von Pyrolyseöl sowie dessen Stabilisierung und Konditionierung mit Ethanol und verdichtetem CO₂. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000155830
Banivaheb, S. (2023, August 22). Integrated Microreactor System for One-stage Synthesis of Dimethyl Ether from Carbon Dioxide and Hydrogen. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000161161
Delgado Otalvaro, N. (2023, Februar 1). Semi-mechanistic, data-based, and hybrid models: A comprehensive comparison on the example of the direct DME synthesis from CO2-rich synthesis gas. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000155261
Fonseca, F. G. (2023, August 9). Process simulation and optimization of biomass fast pyrolysis. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000161174
Hakimioun, A. H. (2023, Oktober 20). Theoretical Studies on the Influence of Size and Support Interactions of Copper Catalysts for CO2 Hydrogenation to Methanol. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000162772
Kövilein, A. (2023, Juni 26). From acetate to value-added products: L-malic acid production with Aspergillus oryzae. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000159501
Lacerda de Oliveira Campos, B. (2023, Mai 8). Multiscale modeling of the methanol synthesis: from surface reaction kinetics to techno-economic analysis. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000158433
Neuner, P. (2023, August 4). Hydroprocessing von synthetischen Wachsen zur Schmiermittelproduktion. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000161117
Pandit, L. (2023, Mai 25). Unravelling structural dynamics in Cu/ZnO-based methanol catalysts for future Power-to-Liquid applications. Dissertation. Karlsruher Institut für Technologie (KIT).
Weber, S. (2023, Juli 17). Revealing Porosity and Structure of Ni-based Catalysts for Dynamic CO Methanation with Hard X-rays. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000160428
Zeitschriftenaufsätze
Amsler, J.; Plessow, P. N.; Studt, F.; Bučko, T. (2023). Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic Integration. Journal of Chemical Theory and Computation, 19 (9), 2455–2468. doi:10.1021/acs.jctc.3c00169
Baehr, C.; Acar, R.; Hamrita, C.; Raffelt, K.; Dahmen, N. (2023). CO Solubility in Fast Pyrolysis Bio-oil. Industrial & Engineering Chemistry Research, 62 (38), 15378–15385. doi:10.1021/acs.iecr.3c02070
Bhimrao Shirsath, A.; Schulte, M. L.; Kreitz, B.; Tischer, S.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Spatially-resolved investigation of CO2 methanation over Ni/γ-Al2O3 and Ni3.2Fe/γ-Al2O3 catalysts in a packed-bed reactor. Chemical Engineering Journal, Art.-Nr.: 143847. doi:10.1016/j.cej.2023.143847
Bodziony, F.; Wörner, M.; Marschall, H. (2023). The stressful way of droplets along single fibre strands : A computational analysis. Physics of Fluids, 35 (1), Art.-Nr.: 012110. doi:10.1063/5.0131032
Borgmann, L. M.; Johnsen, S.; Santos de Oliveira, C.; Martins de Souza e Silva, J.; Li, J.; Kirchlechner, C.; Gomard, G.; Wiegand, G.; Hölscher, H. (2023). Porous polymeric microparticles foamed with supercritical CO₂ as scattering white pigments. Bioinspiration & Biomimetics, 18 (2), Art.-Nr. 026011. doi:10.1088/1748-3190/acb899
Campos Fraga, M. M.; Vogt, J.; Lacerda de Oliveira Campos, B.; Schmitt, C. C.; Raffelt, K.; Dahmen, N. (2023). Investigation of NbO and Its Polymorphs as Catalyst Supports for Pyrolysis Oil Upgrading through Hydrodeoxygenation. Energy & Fuels, 37 (14), 10474–10492. doi:10.1021/acs.energyfuels.3c01152
Chacko, R.; Keller, K.; Tischer, S.; Shirsath, A. B.; Lott, P.; Angeli, S.; Deutschmann, O. (2023). Automating the Optimization of Catalytic Reaction Mechanism Parameters Using Basin-Hopping: A Proof of Concept. The Journal of Physical Chemistry C, 127 (16), 7628–7639. doi:10.1021/acs.jpcc.2c08179
Chang, X.; Zhao, Z.-J.; Lu, Z.; Chen, S.; Luo, R.; Zha, S.; Li, L.; Sun, G.; Pei, C.; Gong, J. (2023). Designing single-site alloy catalysts using a degree-of-isolation descriptor. Nature Nanotechnology, 18 (6), 611–616. doi:10.1038/s41565-023-01344-z
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Energetic Assessment of SCWG Experiments with Reed Canary Grass and Ethanol Solution on Laboratory and Pilot Scale. Energies, 16 (19), Article no: 6848. doi:10.3390/en16196848
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Process Effluent Recycling in the Supercritical Water Gasification of Dry Biomass. Processes, 11 (3), Art.-Nr.: 797. doi:10.3390/pr11030797
Dutzi, J.; Vadarlis, A. A.; Boukis, N.; Sauer, J. (2023). Comparison of Experimental Results with Thermodynamic Equilibrium Simulations of Supercritical Water Gasification of Concentrated Ethanol Solutions with Focus on Water Splitting. Industrial & Engineering Chemistry Research, 62 (32), 12501–12512. doi:10.1021/acs.iecr.3c01595
Eichner, F.; Sauer, J.; Bender, M.; Behrens, S. (2023). The titania-catalyzed oxidative dehydrogenation of methanol to formaldehyde. Applied Catalysis A: General, 663, Art.-Nr.: 119305. doi:10.1016/j.apcata.2023.119305
Eichner, F.; Turan, E.; Sauer, J.; Bender, M.; Behrens, S. (2023). Supported silver and copper catalysts in the oxidative dehydrogenation of methanol to formaldehyde: a comparative study under industrially relevant conditions. Catalysis Science & Technology. doi:10.1039/D2CY01405J
Engl, T.; Langer, M.; Freund, H.; Rubin, M.; Dittmeyer, R. (2023). Tap Reactor for Temporally and Spatially Resolved Analysis of the CO Methanation Reaction. Chemie Ingenieur Technik, 95 (5), 658–667. doi:10.1002/cite.202200204
Esmaeilpour, M.; Bügel, P.; Fink, K.; Studt, F.; Wenzel, W.; Kozlowska, M. (2023). Multiscale Model of CVD Growth of Graphene on Cu(111) Surface. International Journal of Molecular Sciences, 24 (10), Art.-Nr.: 8563. doi:10.3390/ijms24108563
Evers, J.; Klapötke, T. M.; Beck, W.; Völkl, M. B. R.; Oehlinger, G.; Köppe, R.; Zimina, A.; Wolf, S. (2023). PdCl(NO) – an iconic compound with corrugated PdCl octagons built up by PdCl(NO) moieties. Zeitschrift für anorganische und allgemeine Chemie, 649 (6-7). doi:10.1002/zaac.202200337
Fan, Y.; Meyer, L.; Gong, M.; Krause, B.; Hornung, U.; Dahmen, N. (2023). Understanding the fate of nitrogen during catalytic hydrothermal liquefaction of sewage sludge. Fuel, 339, Art.-Nr.: 126948. doi:10.1016/j.fuel.2022.126948
Freund, H.; Sauer, J.; Wachsen, O. (2023). „Digitalisierung der Reaktionstechnik“: ein Themenfeld mit vielen Facetten!. Chemie Ingenieur Technik, 95 (5), 619. doi:10.1002/cite.202370502
Fuchs, C.; Arnold, U.; Sauer, J. (2023). (Co‐)Oligomerization of Olefins to Hydrocarbon Fuels: Influence of Feed Composition and Pressure. Chemie Ingenieur Technik, 95 (5), 651–657. doi:10.1002/cite.202200209
Ghude, S.; Chowdhury, C. (2023). Exploring Hydrogen Storage Capacity in Metal‐Organic Frameworks: A Bayesian Optimization Approach. Chemistry – A European Journal. doi:10.1002/chem.202301840
Hakimioun, A. H.; Vandegehuchte, B. D.; Curulla-Ferre, D.; Kaźmierczak, K.; Plessow, P. N.; Studt, F. (2023). Metal–Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide. ACS Omega. doi:10.1021/acsomega.3c00502
Hinge, V. K.; Bairagi, M.; Yadav, N.; Joshi, S. K.; Shrivastava, B. D.; Jha, S. N.; Bhattacharya, D.; Gaur, A. (2023). Investigating local coordination and electronic nature of Cu centers in the copper complexes having aspartic and glutamic acids. X-Ray Spectrometry. doi:10.1002/xrs.3369
Huang, X.; Eggart, D.; Qin, G.; Sarma, B. B.; Gaur, A.; Yang, J.; Pan, Y.; Li, M.; Hao, J.; Yu, H.; Zimina, A.; Guo, X.; Xiao, J.; Grunwaldt, J.-D.; Pan, X.; Bao, X. (2023). Methyl radical chemistry in non-oxidative methane activation over metal single sites. Nature Communications, 14, Article no: 5716. doi:10.1038/s41467-023-41192-y
Huber, P.; Plessow, P. N. (2023). A computational investigation of the decomposition of acetic acid in H-SSZ-13 and its role in the initiation of the MTO process. Catalysis Science & Technology, 13 (6), 1905–1917. doi:10.1039/d2cy01779b
Huber, P.; Pleßow, P. N. (2023). The role of decarboxylation reactions during the initiation of the methanol-to-olefins process. Journal of Catalysis, 428, Art.-Nr.: 115134. doi:10.1016/j.jcat.2023.115134
Jalalinejad, A.; Seyf, J. Y.; Funke, A.; Dahmen, N. (2023). Solvent Screening for Separation of Lignin-Derived Molecules Using the NIST-UNIFAC Model. ACS Sustainable Chemistry and Engineering, 11 (20), 7863–7873. doi:10.1021/acssuschemeng.3c00906
Jung, D.; Duman, G.; Zimmermann, M.; Kruse, A.; Yanik, J. (2023). Hydrothermal carbonization of fructose—effect of salts and reactor stirring on the growth and formation of carbon spheres. Biomass Conversion and Biorefinery, 13, 6281–6297. doi:10.1007/s13399-021-01782-6
Kalinin, M. A.; Kriebel, M.; Oshchepkov, A. S.; Sharapa, D. I. (2023). Graphocrown—A Novel, Two-Dimensional Oxocarbon: A Theoretical Study. Crystals, 13 (6), Art.-Nr.: 909. doi:10.3390/cryst13060909
Kant, P.; Liang, S.; Rubin, M.; Ozin, G. A.; Dittmeyer, R. (2023). Low-cost photoreactors for highly photon/energy-efficient solar-driven synthesis. Joule, 7 (6), 1347 – 1362. doi:10.1016/j.joule.2023.05.006
Kant, P.; Trinkies, L. L.; Gensior, N.; Fischer, D.; Rubin, M.; Alan Ozin, G.; Dittmeyer, R. (2023). Isophotonic reactor for the precise determination of quantum yields in gas, liquid, and multi-phase photoreactions. Chemical Engineering Journal, 452 (Part 2), Art.-Nr.: 139204. doi:10.1016/j.cej.2022.139204
Keller, K.; Lott, P.; Tischer, S.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Methane Oxidation over PdO: Towards a Better Understanding of the Influence of the Support Material. ChemCatChem, 15 (11), Art.-Nr.: e202300366. doi:10.1002/cctc.202300366
Klag, L.; Gaur, A.; Stehle, M.; Weber, S.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). Role of Iron and Cobalt in 4-Component Bi–Mo–Co–Fe–O Catalysts for Selective Isobutene Oxidation Using Complementary Operando Techniques. ACS Catalysis, 13, 14241–14256. doi:10.1021/acscatal.3c03433
Klag, L.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). An Advanced Characterization Toolbox for Selective Olefin Oxidation Catalysts. ChemCatChem, 15 (3), Art.-Nr.: e202201276. doi:10.1002/cctc.202201276
Kordus, D.; Jelic, J.; Lopez Luna, M.; Divins, N. J.; Timoshenko, J.; Timoshenko, J.; Chee, S. W.; Rettenmaier, C.; Kröhnert, J.; Kühl, S.; Trunschke, A.; Trunschke, A.; Schlögl, R.; Studt, F.; Roldan Cuenya, B. (2023). Shape-Dependent CO Hydrogenation to Methanol over CuO Nanocubes Supported on ZnO. Journal of the American Chemical Society, 145 (5), 3016–3030. doi:10.1021/jacs.2c11540
Kreitz, B.; Lott, P.; Studt, F.; Medford, A. J. J.; Deutschmann, O.; Goldsmith, C. F. (2023). Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties. Angewandte Chemie - International Edition, Art.-Nr.: e202306514. doi:10.1002/anie.202306514
Machoke, A. G. F.; Arias, A. M.; Baracchini, G.; Rubin, M.; Baser, H.; Weissenberger, T.; Dittmeyer, R.; Weber, A.; Hartmann, M.; Schwieger, W. (2023). MFI Type Zeolite Aggregates with Nanosized Particles via a Combination of Spray Drying and Steam-Assisted Crystallization (SAC) Techniques. Catalysts, 13 (3), Art.-Nr.: 536. doi:10.3390/catal13030536
Marchuk, V.; Huang, X.; Grunwaldt, J.-D.; Doronkin, D. E. (2023). Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts. Catalysis Science & Technology. doi:10.1039/D2CY02095E
Mazzariol, C.; Tajoli, F.; Sedykh, A. E.; Dolcet, P.; Grunwaldt, J.-D.; Müller-Buschbaum, K.; Gross, S. (2023). Effective Space Confinement by Inverse Miniemulsion for the Controlled Synthesis of Undoped and Eu -Doped Calcium Molybdate Nanophosphors: A Systematic Comparison with Batch Synthesis. ACS Applied Nano Materials, 6 (17), 15510–15520. doi:10.1021/acsanm.3c02136
Michler, T.; Wippermann, N.; Toedter, O.; Niethammer, B.; Otto, T.; Arnold, U.; Pitter, S.; Koch, T.; Sauer, J. (2023). Corrigendum to “Gasoline from the bioliq® process: Production, characterization and performance” [Fuel Processing Technology 206 (2020) 106476]. Fuel Processing Technology, 240, Art.Nr. 107577. doi:10.1016/j.fuproc.2022.107577
Mockenhaupt, B.; Schwiderowski, P.; Jelic, J.; Studt, F.; Muhler, M.; Behrens, M. (2023). High-Pressure Pulsing of Ammonia Results in Carbamate as Strongly Inhibiting Adsorbate of Methanol Synthesis over Cu/ZnO/AlO. The Journal of Physical Chemistry C, 127 (7), 3497–3505. doi:10.1021/acs.jpcc.2c08823
Nazari, P.; Bäuerle, R.; Bäuerle, R.; Zimmermann, J.; Melzer, C.; Schwab, C.; Smith, A.; Kowalsky, W.; Aghassi-Hagmann, J.; Hernandez-Sosa, G.; Lemmer, U. (2023). Piezoresistive Free‐standing Microfiber Strain Sensor for High‐resolution Battery Thickness Monitoring. Advanced Materials, 35 (21), Art.-Nr.: 2212189. doi:10.1002/adma.202212189
Niethammer, B.; Arnold, U.; Sauer, J. (2023). Suppressing the aromatic cycle of the dimethyl ether to hydrocarbons reaction on zeolites. Applied Catalysis A: General, 651, Art.-Nr.: 119021. doi:10.1016/j.apcata.2023.119021
Parku, G. K.; Krutof, A.; Funke, A.; Richter, D.; Dahmen, N. (2023). Using Fractional Condensation to Optimize Aqueous Pyrolysis Condensates for Downstream Microbial Conversion. Industrial and Engineering Chemistry Research, 62 (6), 2792–2803. doi:10.1021/acs.iecr.2c03598
Perret, L.; Boukis, N.; Sauer, J. (2023). Influence of Increased Cell Densities on Product Ratio and Productivity in Syngas Fermentation. Industrial & Engineering Chemistry Research, 62 (35), 13799–13810. doi:10.1021/acs.iecr.3c01911
Phan Dang, C.-T.; Tam, N. M.; Huynh, T.-N.; Trung, N. T. (2023). Revisiting conventional noncovalent interactions towards a complete understanding: from tetrel to pnicogen, chalcogen, and halogen bond. RSC Advances, 13 (45), 31507–31517. doi:10.1039/d3ra06078k
Plessow, P. N.; Studt, F. (2023). Cooperative Effects of Active Sites in the MTO Process: A Computational Study of the Aromatic Cycle in H-SSZ-13. ACS Catalysis, 13 (1), 624–632. doi:10.1021/acscatal.2c04694
Pola, L.; Collado, S.; Wörner, M.; Hornung, U.; Díaz, M. (2023). Eutectic solvents for the valorisation of the aqueous phase from hydrothermally liquefied black liquor. Journal of Environmental Chemical Engineering, 11 (5), Art.-Nr.: 111040. doi:10.1016/j.jece.2023.111040
Pola, L.; Collado, S.; Wörner, M.; Hornung, U.; Díaz, M. (2023). Valorisation of the residual aqueous phase from hydrothermally liquefied black liquor by persulphate-based advanced oxidation. Chemosphere, 339, Art.-Nr.: 139737. doi:10.1016/j.chemosphere.2023.139737
Potter, M. E.; Amsler, J.; Spiske, L.; Plessow, P. N.; Asare, T.; Carravetta, M.; Raja, R.; Cox, P. A.; Studt, F.; Armstrong, L.-M. (2023). Combining Theoretical and Experimental Methods to Probe Confinement within Microporous Solid Acid Catalysts for Alcohol Dehydration. ACS Catalysis, 13 (9), 5955–5968. doi:10.1021/acscatal.3c00352
Ramanathan, E. S.; Chowdhury, C. (2023). Structural and Electronic Properties of Two‐Dimensional Materials: A Machine‐Learning‐Guided Prediction. ChemPhysChem, 24 (21), e202300308. doi:10.1002/cphc.202300308
Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Bernart, S.; Studt, F.; Grunwaldt, J.-D. (2023). Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”. The Journal of Physical Chemistry C, 127 (23), Art.-Nr.: 11419. doi:10.1021/acs.jpcc.3c03075
Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Studt, F.; Grunwaldt, J.-D. (2023). Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT. The Journal of Physical Chemistry C, 127 (6), 3032–3046. doi:10.1021/acs.jpcc.2c07263
Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D. (2023). Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chemical Reviews, 123 (1), 379–444. doi:10.1021/acs.chemrev.2c00495
Scholz, B.; Oshchepkov, A. S.; Papaianina, O.; Ruppenstein, C.; Akhmetov, V. A.; Sharapa, D. I.; Amsharov, K. Y.; Pérez-Ojeda, M. E. (2023). An Indacenopicene‐based Buckybowl Catcher for Recognition of Fullerenes. Chemistry – A European Journal, Art.-Nr.: e202302778. doi:10.1002/chem.202302778
Semmel, M.; Bogatykh, I.; Steinbach, B.; Sauer, J.; Repke, J.-U.; Salem, O. (2023). Demonstration and experimental model validation of the DME synthesis by reactive distillation in a pilot-scale pressure column. Reaction Chemistry & Engineering. doi:10.1039/d3re00200d
Semmel, M.; Kerschbaum, M.; Steinbach, B.; Sauer, J.; Salem, O. (2023). Optimized design and techno-economic analysis of novel DME production processes. Reaction Chemistry & Engineering, 8 (11), 2826–2840. doi:10.1039/d3re00333g
Sheikh, K. A.; Drexler, R.; Zevaco, T. A.; Sauer, J.; Bender, M. (2023). Hydrogenation of Carbon Monoxide in the Liquid Phase: Influence of the Synthetic Methods on Characteristics and Activity of Hydrogenation Catalysts. Catalysts, 13 (3), 482. doi:10.3390/catal13030482
Sheikh, K. A.; Zevaco, T. A.; Jelic, J.; Studt, F.; Bender, M. (2023). Efficient noble metal promoted bimetallic cobalt catalysts in the selective synthesis of acetaldehyde dimethyl acetal. RSC Advances, 13 (33), 22698–22709. doi:10.1039/D3RA02784H
Shirsath, A. B.; Mokashi, M.; Lott, P.; Müller, H.; Pashminehazar, R.; Sheppard, T.; Tischer, S.; Maier, L.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Soot Formation in Methane Pyrolysis Reactor: Modeling Soot Growth and Particle Characterization. The Journal of Physical Chemistry A, 127 (9), 2136–2147. doi:10.1021/acs.jpca.2c06878
Vadarlis, A. A.; Angeli, S. D.; Lemonidou, A. A.; Boukis, N.; Sauer, J. (2023). Catalytic Biomass Gasification in Supercritical Water and Product Gas Upgrading. ChemBioEng Reviews, 10 (4), 370–398. doi:10.1002/cben.202300007
Vadarlis, A. A.; Neukum, D.; Lemonidou, A. A.; Boukis, N.; Sauer, J. (2023). Direct steam reforming of the product gas from ethanol gasification with supercritical water. International Journal of Hydrogen Energy. doi:10.1016/j.ijhydene.2023.08.108
Vajglova, Z.; Yevdokimova, O.; Medina, A.; Eränen, K.; Tirri, T.; Hemming, J.; Linden, J.; Angervo, I.; Damlin, P.; Doronkin, D. E.; Mäki-Arvela, P.; Murzin, D. (2023). Solventless hydrodeoxygenation of isoeugenol and dihydroeugenol in the batch and continuous modes over zeolite-supported FeNi catalyst. Sustainable Energy & Fuels. doi:10.1039/D3SE00371J
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Kumar, N.; Eränen, K.; Wärnå, J.; Lassfolk, R.; Simakova, I. L.; Prosvirin, I. P.; Peurla, M.; Lindén, J. K. M.; Huhtinen, H.; Paturi, P.; Doronkin, D. E.; Murzin, D. Y. (2023). Interactions between Iron and Nickel in Fe–Ni Nanoparticles on Y Zeolite for Co-Processing of Fossil Feedstock with Lignin-Derived Isoeugenol. ACS Applied Nano Materials, 6 (12), 10064–10077. doi:10.1021/acsanm.3c00620
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Simakova, I. L.; Kumar, N.; Eränen, K.; Tirri, T.; Lassfolk, R.; Peurla, M.; Doronkin, D. E.; Murzin, D. Y. (2023). Co-processing of fossil feedstock with lignin-derived model compound isoeugenol over Fe-Ni/H-Y-5.1 catalysts. Journal of Catalysis, 421, 101–116. doi:10.1016/j.jcat.2023.03.016
Vergara, T.; Gómez, D.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Concepción, P.; Jiménez, R.; Karelovic, A. (2023). Combined role of Ce promotion and TiO2 support improves CO2 hydrogenation to methanol on Cu catalysts: Interplay between structure and kinetics. Journal of Catalysis, 426, 200–213. doi:10.1016/j.jcat.2023.07.017
Vergara, T.; Gómez, D.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Jiménez, R.; Karelovic, A. (2023). Disclosing the Reaction Mechanism of CO 2 Hydrogenation to Methanol over CuCeO x /TiO 2 : A Combined Kinetic, Spectroscopic, and Isotopic Study. ACS Catalysis, 13 (22), 14699–14715. doi:10.1021/acscatal.3c04243
Wan, S.; Häber, T.; Lott, P.; Suntz, R.; Deutschmann, O. (2023). Experimental investigation of NO reduction by H2 on Pd using planar laser-induced fluorescence. Applications in Energy and Combustion Science, 100229. doi:10.1016/j.jaecs.2023.100229
Wang, Y.; Qin, S.; Denisov, N.; Kim, H.; Bad’ura, Z.; Sarma, B. B.; Schmuki, P. (2023). Reactive Deposition Versus Strong Electrostatic Adsorption (SEA): A Key to Highly Active Single Atom Co‐Catalysts in Photocatalytic H Generation. Advanced Materials, Art.-Nr.: 2211814. doi:10.1002/adma.202211814
Wollak, B.; Espinoza, D.; Dippel, A.-C.; Sturm, M.; Vrljic, F.; Gutowski, O.; Nielsen, I. G.; Sheppard, T. L.; Korup, O.; Horn, R. (2023). Catalytic reactor for operando spatially resolved structure–activity profiling using high-energy X-ray diffraction. Journal of Synchrotron Radiation, 30 (Pt 3), 571–581. doi:10.1107/S1600577523001613
Wörner, M. (2023). Maximum spreading of an impacting drop. International Journal of Multiphase Flow, 167, Artkl.Nr.: 104528. doi:10.1016/j.ijmultiphaseflow.2023.104528
Wu, S.-M.; Hwang, I.; Osuagwu, B.; Will, J.; Wu, Z.; Sarma, B. B.; Pu, F.-F.; Wang, L.-Y.; Badura, Z.; Zoppellaro, G.; Spiecker, E.; Schmuki, P. (2023). Fluorine Aided Stabilization of Pt Single Atoms on TiO Nanosheets and Strongly Enhanced Photocatalytic H Evolution. ACS Catalysis, 13, 33–41. doi:10.1021/acscatal.2c04481
Zhang, R.; Cao, Y.; Doronkin, D. E.; Ma, M.; Dong, F.; Zhou, Y. (2023). Single-atom dispersed Zn-N3 active sites bridging the interlayer of g-C3N4 to tune NO oxidation pathway for the inhibition of toxic by-product generation. Chemical Engineering Journal, 454 (Part 1), Art.-Nr.: 140084. doi:10.1016/j.cej.2022.140084
Zhao, D.; Gao, M.; Tian, X.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Ye, M.; Jiang, G.; Jiao, H.; Kondratenko, E. V. (2023). Effect of Diffusion Constraints and ZnOx Speciation on Nonoxidative Dehydrogenation of Propane and Isobutane over ZnO-Containing Catalysts. ACS Catalysis, 13, 3356–3369. doi:10.1021/acscatal.2c05704
Zimmermann, J.; Raffelt, K.; Dahmen, N. (2023). Suppressing the formation of N-heteroaromatics during hydrothermal liquefaction of proteinaceous model feedstock. Biomass Conversion and Biorefinery. doi:10.1007/s13399-023-04553-7
Zimmermann, R. T.; Weber, S.; Bremer, J.; Idakiev, V.; Pashminehazar, R.; Sheppard, T. L.; Mörl, L.; Sundmacher, K. (2023). Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal, 457, Art.-Nr.: 140921. doi:10.1016/j.cej.2022.140921
Proceedingsbeiträge
Alves, V. R. S.; Meyer, D. C.; Moreira, R.; Sousa, A. P. S.; Ushima, A. H.; Raffelt, K. (2023). Thermochemical Biomass Conversion Process in a Small-Scale Fluidized Bed Reactor: Fast Pyrolysis of Eucalyptus Wood and Gasification of Sugarcane Straw. European Biomass Conference and Exhibition Proceedings, 527 – 529, ETA-Florence Renewable Energies.
Gaur, A.; Paripsa, S.; Förste, F.; Doronkin, D.; Malzer, W.; Schlesiger, C.; Kanngießer, B.; Lützenkirchen-Hecht, D.; Welter, E.; Grunwaldt, J.-D. (2023). Metadata Fields and Quality Criteria - XAS Reference Database under DAPHNE4NFDI. Proceedings of the Conference on Research Data Infrastructure, 4 S., Technische Informationsbibliothek Open Publishing (TIB Open Publishing). doi:10.52825/CoRDI.v1i.258
Telis, N. C.; Schmitt, C. C.; Raffelt, K.; Dahmen, N. (2023). Performance Evaluation of a Niobium-Based Pellet Catalyst: Hydrodeoxygenation of Bio-Oil in a Trickle Bed Reactor. European Biomass Conference and Exhibition Proceedings, 1007 – 1011, ETA-Florence Renewable Energies.
Forschungsberichte/Preprints
Heinzmann, P.; Glöser-Chahoud, S.; Schultmann, F.; Langenmayr, U.; Ruppert, M.; Fichtner, W.; Arnold, U.; Dahmen, N.; Fuchs, C.; Lam, H.; Graf, D.; Rauch, R.; Haas-Santo, K.; Dittmeyer, R.; Weyhing, T.; Wagner, U.; Andresh, M.; Haase, M.; Patyk, A.; Scheer, D.; Schmieder, L.; Kölle, C.; Landgraf, M.; Koch, T.; Sauer, J. (2023). Ergebnisbericht reFuels – Kraftstoffe neu denken. (O. Toedter, Hrsg.), Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000159935
Vorträge
Klag, L.; Sheppard, T.; Grunwaldt, J.-D. (2023, März 16). Integral and spatially-resolved insights into structure and activity of mixed metal oxide catalysts during selective olefin oxidation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Lacerda de Oliveira Campos, B.; Ferreira da Costa Junior, E.; Delgado, K. H.; Oliveira Souza da Costa, A.; Pitter, S.; Sauer, J. (2023, Juni 19). Application of machine-learning techniques to reproduce a microkinetic model for the methanol synthesis. 28th North American Meeting of the Catalysis Society (NAM 2023), Providence, RI, USA, 18.–23. Juni 2023.
Lacerda de Oliveira Campos, B.; Ferreira da Costa Junior, E.; Herrera Delgado, K.; Oliveira Souza da Costa, A.; Pitter, S.; Sauer, J. (2023, März 17). Development of an artificial neural network to reproduce a microkinetic model for the methanol synthesis. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Moseev, D.; Ponomarenko, S.; Laqua, H. P.; Stange, T.; Nielsen, S. K.; Braune, H.; Gantenbein, G.; Illy, S.; Jelonnek, J.; Kasparek, W.; Kuleshov, A.; Krier, L.; Lechte, C.; Marsen, S.; Nishiura, M.; Plaum, B.; Ragona, R.; Ruess, T.; Salewski, M.; Stordiau, P.; Thumm, M.; Wolf, R. C.; Zimmermann, J.; W7-X Team. (2023, September). Commissioning and first results of the 174 GHz collective 5 Thomson scattering diagnostic at Wendelstein 7-X. 20th International Symposium on Laser-Aided Plasma Diagnostics (2023), Kyōto, Japan, 10.–14. September 2023.
Treu, P.; Sarma, B. B.; Saraçi, E. (2023, März 15). Impact of Fe speciation in Fe/MFI on the oxidative cleavage of vicinal diols. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Vergara, T.; Gómez, D.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Concepción, P.; Jiménez, R.; Karelovic, A. (2023, September). Kinetic and mechanistic study of CO2 conversion into methanol over Cu/TiO2 and Cu/SiO2 catalysts promoted by CeO2. 15th European Congress on Catalysis (EuropaCat 2023), Prag, Tschechien, 27. August–1. September 2023.
Vergara, T.; Jiménez, R.; Delgado, K. H.; Lacerda de Oliveira Campos, B.; Karelovic, A. (2023, Juni). Kinetic and mechanistic study of CO2 conversion into methanol over Cu/TiO2 and Cu/SiO2 catalysts promoted by CeO2. 28th North American Meeting of the Catalysis Society (NAM 2023), Providence, RI, USA, 18.–23. Juni 2023.
Vergara, T.; Pallacán, R.; Guevara, M.; Jiménez, R.; Karelovic, A. (2023, September). Structure sensitivity of methanol synthesis from CO2 on Cu/ZrO2 catalysts. 15th European Congress on Catalysis (EuropaCat 2023), Prag, Tschechien, 27. August–1. September 2023.
Warmuth, L.; Guse, D.; Kind, M.; Steurer, M.; Schild, D.; Zimina, A.; Pitter, S. (2023, Mai 25). Green methanol from renewable feeds – Towards scalable catalyst synthesis and improved stability. 3rd Conference of the GDCh Division of Chemistry and Energy (2023), Pfinztal, Deutschland, 24.–25. Mai 2023.
Zhao, D.; Gao, M.; Tian, X.; Doronkin, D.; Han, S.; Rodemerck, U.; Linke, D.; Ye, M.; Jiang, G.; Jiao, H.; Kondratenko, E. (2023, März 15). The effects of support in ZnOx/zeolite catalysts on the active species and product formation in propane and isobutane dehydrogenation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Poster
Baumgarten, L.; Grunwaldt, J.-D.; Saraçi, E. (2023, März 16). Operando X-Ray Absorption Spectroscopic Investigations on Ni and Cu Catalysts for CO2-Hydrogenation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Beichter, S.; Herfet, M.; Ordonez, M.; Rentschler, P. (2023). Sparkling DAC Decentralized, modular and flexibly operated Direct Air Capture Prototype. KIT Science Week / 4. Helmholtz Sustainability Summit (2023), Karlsruhe, Deutschland, 10. Oktober 2023.
Czechowsky, J.; Dolcet, P.; Maliakkal, C.; Gross, S.; Behrens, S.; Kübel, C.; Grunwaldt, J.-D.; Casapu, M. (2023, März 15). Understanding the impact of the preparation method on the performance of Pt-Pd/γ-Al2O3 catalysts for emission control. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Da Roit, N.; Czechowsky, J.; Neumaier, M.; Wang, D.; Kappes, M.; Casapu, M.; Behrens, S. (2023, März 15). Powder model catalysts based on Pt clusters, Pt and Pd nanoparticles for emission control catalysis. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
De Oliveira, A.; Czechowsky, J.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Wolf, M. (2023, März 15). One-pot synthesis of oxidation catalysts for emission control via solvent deficient precipitation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Düll, A. (2023, Juni 22). Experimental and numerical investigation of the influence of surface structure modifications on the hydrodynamics of a falling film absorber. 19th Multiphase Flow Conference and Short Course -Simulation, Experiment and Application (2023), Dresden, Deutschland, 19.–23. Juni 2023.
Düll, A. (2023, September 18). Influence of surface structure modification on CO2 absorption characteristics of a falling film absorber. 14th European Congress of Chemical Engineering (ECCE 2023), Berlin, Deutschland, 17.–21. September 2023.
Elbuga-Ilica, R.; Zimina, A.; Serrer, M.; Saraçi, E.; Grunwaldt, J.-D. (2023, März 15). High pressure and long-term operando studies for production of sustainable fuels & chemicals: Bridging industry and synchrotron. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Kornetzky, K.; Schulte, M.; Maurer, F.; Jung, N.; Chacko, R.; Deutschmann, O.; Grunwaldt, J.-D. (2023, März 15). Towards research data management with an electronic lab notebook in catalysis. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Neukum, D.; Saraci, E.; Krause, B.; Sinigalia, A.; Nilayam, A. R., Lakshmi; Grundwaldt, J.-D. (2023, März 16). Rate enhancing effect of carbon support properties on Pt-catalyzed base-free HMF oxidation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Schmitt, C.; Czechowsky, J.; Casapu, M.; Behrens, S. (2023, März 15). Ceria supported mono- and bimetallic noble metal nanoparticles with narrow size distribution as model catalysts in emission control reactions. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Schulte, M.; Sender, V.; Baumgarten, L.; Saraçi, E.; Grunwaldt, J.-D. (2023, März 15). Impact of flame spray pyrolysis parameters on the structure and activity of Cu-based CO2-methanol catalysts. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Sharma, S.; Delrieux, T.; Karpov, D.; Grunwaldt, J.-D.; Sheppard, T. (2023, März 15). Visualising sulphur poisoning in structured catalysts with X-ray nanotomography. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Vergara, T.; Gómez, D.; Collins, S.; Jiménez, R.; Karelovic, A. (2023, Juni). Low contents of Zn on Cu/SiO2 modify the surface and the mechanism of CO2 hydrogenation to methanol. 28th North American Meeting of the Catalysis Society (NAM 2023), Providence, RI, USA, 18.–23. Juni 2023.
Warmuth, L. (2023, März 15). Green methanol from renewable feeds : Towards scalable catalyst synthesis and improved stability. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Warmuth, L.; Guse, D.; Kind, M.; Steurer, M.; Zimina, A.; Grunwaldt, J.-D.; Schild, D.; Zevaco, T.; Pitter, S. (2023, Juni 19). Green methanol from renewable feeds : Towards scalable catalyst synthesis and improved stability. 28th North American Meeting of the Catalysis Society (NAM 2023), Providence, RI, USA, 18.–23. Juni 2023.
Weber, S.; Diaz, A.; Karpov, D.; Kahnt, M.; Romanenko, Y.; Kotrel, S.; Grunwaldt, J.-D.; Schunk, S.; Sheppard, T. (2023, März 15). Probing Pore Accessibility of Coked Technical Catalysts by Hard X-ray Nanotomography. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Deutschland, 15.–17. März 2023.
Forschungsdaten
Marchuk, V.; Sharapa, D. I.; Grunwaldt, J.-D.; Doronkin, D. E. (2023, Oktober 17). Atomic coordinates of DFT-optimized Pt structures with O, N, and NHx species in surface or interstitial locations. doi:10.35097/1764
2022
Dissertationen
Araujo-Lopez, E. (2022, Dezember 8). Theoretical Insights into the Light Alkanes Dehydrogenation and Aldehydes Hydrogenation on Transition Metal and Metal Oxide Surfaces. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000152395
Grandl, R. (2022, September 14). Simulation der Stoff- und Wärmetransportvorgänge bei der Schnellpyrolyse von Lignocellulose im Doppelschneckenmischreaktor. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000150483
Haltenort, P. (2022, März 3). Demonstration und Evaluation der kontinuierlichen und heterogenkatalysierten Synthese von Oxymethylendimethylethern (OME) aus Dimethylether und Trioxan. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000143343
Siebert, M. (2022, Juli 29). Intermetallische Verbindungen als Katalysatoren für die Semi-Hydrierung von Acetylen in mikrostrukturierten Reaktoren. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000149045
Zha, S. (2022, Oktober 12). Hierarchical Multiscale Modelling of CoCu Catalyst in CO Hydrogenation : Bridge the Gap between Microscopic and Mesoscopic Systems. Dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000150313
Zeitschriftenaufsätze
Abel, K. L.; Weber, S.; Poppitz, D.; Titus, J.; Sheppard, T. L.; Gläser, R. (2022). Thermally stable mesoporous tetragonal zirconia through surfactant-controlled synthesis and Si-stabilization. RSC Advances, 12 (26), 16875–16885. doi:10.1039/d2ra01459a
Aitbekova, A.; Zhou, C.; Stone, M. L.; Lezama-Pacheco, J. S.; Yang, A.-C.; Hoffman, A. S.; Goodman, E. D.; Huber, P.; Stebbins, J. F.; Bustillo, K. C.; Ercius, P.; Ciston, J.; Bare, S. R.; Pleßow, P. N.; Cargnello, M. (2022). Templated encapsulation of platinum-based catalysts promotes high-temperature stability to 1,100 °C. Nature Materials, 21 (11), 1290–1297. doi:10.1038/s41563-022-01376-1
Akhmetov, V.; Feofanov, M.; Ruppenstein, C.; Lange, J.; Sharapa, D.; Krstić, M.; Hampel, F.; Kataev, E. A.; Amsharov, K. (2022). Acenaphthenoannulation Induced by the Dual Lewis Acidity of Alumina. Chemistry - A European Journal, 28 (31), e202200584. doi:10.1002/chem.202200584
Amsler, J.; Bernart, S.; Plessow, P. N.; Studt, F. (2022). Theoretical investigation of the olefin cycle in H-SSZ-13 for the ethanol-to-olefins process using ab initio calculations and kinetic modeling. Catalysis Science and Technology, 12 (10), 3311–3321. doi:10.1039/D1CY02289J
Baehr, C.; Smith, G. J.; Sleeman, D.; Zevaco, T. A.; Raffelt, K.; Dahmen, N. (2022). Aldehydes and ketones in pyrolysis oil: analytical determination and their role in the aging process. RSC Advances, 12 (12), 7374–7382. doi:10.1039/D1RA08899H
Bagheri, M.; Stumpf, B.; Roisman, I. V.; Tropea, C.; Hussong, J.; Wörner, M.; Marschall, H. (2022). Interfacial relaxation – Crucial for phase-field methods to capture low to high energy drop-film impacts. International Journal of Heat and Fluid Flow, 94, Art.-Nr.: 108943. doi:10.1016/j.ijheatfluidflow.2022.108943
Bagheri, M.; Stumpf, B.; Roisman, I. V.; Dadvand, A.; Wörner, M.; Marschall, H. (2022). A unified finite volume framework for phase‐field simulations of an arbitrary number of fluid phases. The Canadian Journal of Chemical Engineering, 100 (9), 2291–2308. doi:10.1002/cjce.24510
Banivaheb, S.; Pitter, S.; Delgado, K. H.; Rubin, M.; Sauer, J.; Dittmeyer, R. (2022). Recent Progress in Direct DME Synthesis and Potential of Bifunctional Catalysts. Chemie - Ingenieur - Technik, 94 (3), 240–255. doi:10.1002/cite.202100167
Barberis, L.; Hakimioun, A. H.; Plessow, P. N.; Visser, N. L.; Stewart, J. A.; Vandegehuchte, B. D.; Studt, F.; de Jongh, P. E. (2022). Competition between reverse water gas shift reaction and methanol synthesis from CO 2 : influence of copper particle size. Nanoscale, 14 (37), 13551–13560. doi:10.1039/d2nr02612k
Behrendt, G.; Prinz, N.; Wolf, A.; Baumgarten, L.; Gaur, A.; Grunwaldt, J.-D.; Zobel, M.; Behrens, M.; Mangelsen, S. (2022). Substitution of Copper by Magnesium in Malachite: Insights into the Synthesis and Structural Effects. Inorganic Chemistry, 61 (49), 19678–19694. doi:10.1021/acs.inorgchem.2c01976
Betz, M.; Fuchs, C.; Zevaco, T. A.; Arnold, U.; Sauer, J. (2022). Production of hydrocarbon fuels by heterogeneously catalyzed oligomerization of ethylene: Tuning of the product distribution. Biomass and Bioenergy, 166, Art.-Nr.: 106595. doi:10.1016/j.biombioe.2022.106595
Borchers, M.; Thrän, D.; Chi, Y.; Dahmen, N.; Dittmeyer, R.; Dolch, T.; Dold, C.; Förster, J.; Herbst, M.; Heß, D.; Kalhori, A.; Koop-Jakobsen, K.; Li, Z.; Mengis, N.; Reusch, T. B. H.; Rhoden, I.; Sachs, T.; Schmidt-Hattenberger, C.; Stevenson, A.; Thoni, T.; Wu, J.; Yeates, C. (2022). Scoping carbon dioxide removal options for Germany–What is their potential contribution to Net-Zero CO?. Frontiers in Climate, 4. doi:10.3389/fclim.2022.810343
Borchers, M.; Lott, P.; Deutschmann, O. (2022). Selective Catalytic Reduction with Hydrogen for Exhaust gas after-treatment of Hydrogen Combustion Engines. Topics in Catalysis, 66 (13-14), 973–984. doi:10.1007/s11244-022-01723-1
Campos Fraga, M. M.; Lacerda de Oliveira Campos, B.; Hendrawidjaja, H.; Carriel Schmitt, C.; Raffelt, K.; Dahmen, N. (2022). Fast Pyrolysis Oil Upgrading via HDO with Fe-Promoted Nb₂O₅-Supported Pd-Based Catalysts. Energies, 15 (13), Art.-Nr.: 4762. doi:10.3390/en15134762
Carriel Schmitt, C.; Rapp, M.; Voigt, A.; De Carvalho, M. dos S. (2022). Selective Detection of Aromatic Compounds with a Re-Designed Surface Acoustic Wave Sensor System Using a Short Packed Column. Coatings, 12 (11), Art.-Nr.: 1666. doi:10.3390/coatings12111666
Chawla, J.; Schardt, S.; Angeli, S.; Lott, P.; Tischer, S.; Maier, L.; Deutschmann, O. (2022). Oxidative Coupling of Methane over Pt/AlO at High Temperature: Multiscale Modeling of the Catalytic Monolith. Catalysts, 12 (2), Art.-Nr.: 189. doi:10.3390/catal12020189
Chen, S.; Huang, X.; Schild, D.; Wang, D.; Kübel, C.; Behrens, S. (2022). Pd–In intermetallic nanoparticles with high catalytic selectivity for liquid-phase semi-hydrogenation of diphenylacetylene. Nanoscale, 14 (47), 17661–17669. doi:10.1039/D2NR03674F
Czioska, S.; Ehelebe, K.; Geppert, J.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Mayerhöfer, B.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2022). Heating up the OER: Investigation of IrO₂ OER Catalysts as Function of Potential and Temperature. ChemElectroChem, 9 (19), e202200514. doi:10.1002/celc.202200514
Das, S.; Pashminehazar, R.; Sharma, S.; Weber, S.; Sheppard, T. L. (2022). New Dimensions in Catalysis Research with Hard X‐Ray Tomography. Chemie Ingenieur Technik, 94 (11), 1591–1610. doi:10.1002/cite.202200082
Delgado Otalvaro, N.; Bilir, P. G.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2022). Kinetics of the Direct DME Synthesis: State of the Art and Comprehensive Comparison of Semi-Mechanistic, Data-Based and Hybrid Modeling Approaches. Catalysts, 12 (3), Art.-Nr.: 347. doi:10.3390/catal12030347
Denisov, N.; Qin, S.; Will, J.; Vasiljevic, B. N.; Skorodumova, N. V.; Pašti, I. A.; Sarma, B. B.; Osuagwu, B.; Yokosawa, T.; Voss, J.; Wirth, J.; Spiecker, E.; Schmuki, P. (2022). Light‐induced agglomeration of single‐atom platinum in photocatalysis. Advanced Materials, 35 (5), Art.-Nr.: 2206569. doi:10.1002/adma.202206569
De Wispelaere, K.; Plessow, P. N.; Studt, F. (2022). Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5. ACS Physical Chemistry Au, 2 (5), 399–406. doi:10.1021/acsphyschemau.2c00020
Drexler, M.; Haltenort, P.; Arnold, U.; Sauer, J. (2022). Continuous Synthesis of Oxymethylene Ether Fuels from Dimethyl Ether in a Heterogeneously Catalyzed Liquid Phase Process. Chemie-Ingenieur-Technik, 94 (3), 256–266. doi:10.1002/cite.202100173
Drexler, M.; Haltenort, P.; Arnold, U.; Sauer, J.; Karakoulia, S. A.; Triantafyllidis, K. S. (2022). Progress in the anhydrous production of oxymethylene ethers (OME) as a renewable diesel fuel in a liquid phase process. Catalysis Today, 424, Art.-Nr.: 113847. doi:10.1016/j.cattod.2022.07.015
Eggart, D.; Huang, X.; Zimina, A.; Yang, J.; Pan, Y.; Pan, X.; Grunwaldt, J.-D. (2022). Operando XAS Study of Pt-Doped CeO2 for the Nonoxidative Conversion of Methane. ACS Catalysis, 12, 3897–3908. doi:10.1021/acscatal.2c00092
Fan, Y.; Prestigiacomo, C.; Gong, M.; Tietz, T.; Hornung, U.; Dahmen, N. (2022). Comparative investigation on the value-added products obtained from continuous and batch hydrothermal liquefaction of sewage sludge. Frontiers in Environmental Science, 10, Art.Nr. 996353. doi:10.3389/fenvs.2022.996353
Fan, Y.; Hoffmann, A.; Hornung, U.; Raffelt, K.; Zevaco, T. A.; Dahmen, N. (2022). Hydrothermal, catalyst-free production of a cyclic dipeptide from lysine. Journal of Analytical and Applied Pyrolysis, 168, Art.-Nr.: 105792. doi:10.1016/j.jaap.2022.105792
Fan, Y.; Hornung, U.; Dahmen, N. (2022). Hydrothermal liquefaction of sewage sludge for biofuel application: A review on fundamentals, current challenges and strategies. Biomass and Bioenergy, 165, Art.-Nr.: 106570. doi:10.1016/j.biombioe.2022.106570
Farpón, M. G.; Henao, W.; Plessow, P. N.; Andrés, E.; Arenal, R.; Marini, C.; Agostini, G.; Studt, F.; Prieto, G. (2022). Rhodium Single‐Atom Catalyst Design through Oxide Support Modulation for Selective Gas‐Phase Ethylene Hydroformylation. Angewandte Chemie - International Edition, 62 (1), Art.-Nr.: e202214048. doi:10.1002/anie.202214048
Feofanov, M.; Sharapa, D. I.; Akhmetov, V. (2022). Alumina-mediated soft propargylic C–H activation in unactivated alkynes. Green Chemistry, 24 (12), 4761–4765. doi:10.1039/d2gc00555g
Fonseca, F. G.; Anca-Couce, A.; Funke, A.; Dahmen, N. (2022). Challenges in Kinetic Parameter Determination for Wheat Straw Pyrolysis. Energies, 15 (19), Art.-Nr.: 7240. doi:10.3390/en15197240
Freund, H.; Sauer, J.; Wachsen, O. (2022). Wie verändert sich die Reaktions‐ und Reaktortechnik durch die Elektrifizierung chemischer Prozesse?. Chemie Ingenieur Technik, 94 (5), 615. doi:10.1002/cite.202270502
Fuchs, C.; Arnold, U.; Sauer, J. (2022). Effect of nickel loading on fuel production via heterogeneously catalyzed oligomerization of methanol‐based olefins. Chemie Ingenieur Technik, 94 (9), 1215–1215. doi:10.1002/cite.202255176
Gaur, A.; Stehle, M.; Serrer, M.-A.; Stummann, M. Z.; La Fontaine, C.; Briois, V.; Grunwaldt, J.-D.; Høj, M. (2022). Using Transient XAS to Detect Minute Levels of Reversible S-O Exchange at the Active Sites of MoS2-Based Hydrotreating Catalysts: Effect of Metal Loading, Promotion, Temperature, and Oxygenate Reactant. ACS catalysis, 12 (1), 633–647. doi:10.1021/acscatal.1c04767
Geppert, J.; Röse, P.; Czioska, S.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Cherevko, S.; Grunwaldt, J.-D.; Krewer, U. (2022). Microkinetic Analysis of the Oxygen Evolution Performance at Different Stages of Iridium Oxide Degradation. Journal of the American Chemical Society, 144 (29), 13205–13217. doi:10.1021/jacs.2c03561
Grafmüller, J.; Böhm, A.; Zhuang, Y.; Spahr, S.; Müller, P.; Otto, T. N.; Bucheli, T. D.; Leifeld, J.; Giger, R.; Tobler, M.; Schmidt, H.-P.; Dahmen, N.; Hagemann, N. (2022). Wood Ash as an Additive in Biomass Pyrolysis: Effects on Biochar Yield, Properties, and Agricultural Performance. ACS Sustainable Chemistry & Engineering, 10 (8), Artk.Nr.: 2720–2729. doi:10.1021/acssuschemeng.1c07694
Guo, B.; Hornung, U.; Zhang, S.; Dahmen, N. (2022). Techno‐Economic Assessment of a Microalgae Biorefinery. Chemie Ingenieur Technik, 95 (6), 950–954. doi:10.1002/cite.202200007
Guo, B.; Yang, B.; Su, Y.; Zhang, S.; Hornung, U.; Dahmen, N. (2022). Screening and Optimization of Microalgae Biomass and Plastic Material Coprocessing by Hydrothermal Liquefaction. ACS ES&T Engineering, 2 (1), 65–77. doi:10.1021/acsestengg.1c00261
Guo, B.; Yang, B.; Weil, P.; Zhang, S.; Hornung, U.; Dahmen, N. (2022). The Effect of Dichloromethane on Product Separation during Continuous Hydrothermal Liquefaction of Chlorella vulgaris and Aqueous Product Recycling for Algae Cultivation. Energy & fuels, 36 (2), 922–931. doi:10.1021/acs.energyfuels.1c02523
Guse, D.; Polierer, S.; Wild, S.; Pitter, S.; Kind, M. (2022). Improved Preparation of Cu/Zn‐Based Catalysts by Well‐Defined Conditions of Co‐Precipitation and Aging. Chemie - Ingenieur - Technik, 94 (3), 314–327. doi:10.1002/cite.202100197
Huber, P.; Studt, F.; Plessow, P. N. (2022). Reactivity of Surface Lewis and Brønsted Acid Sites in Zeolite Catalysis: A Computational Case Study of DME Synthesis Using H-SSZ-13. The Journal of Physical Chemistry C, 126 (13), 5896–5905. doi:10.1021/acs.jpcc.2c00668
Karp, S. G.; Schmitt, C. C.; Moreira, R.; de Oliveira Penha, R.; de Mello, A. F. M.; Herrmann, L. W.; Soccol, C. R. (2022). Sugarcane Biorefineries: Status and Perspectives in Bioeconomy. BioEnergy Research, 15, 1842–1853. doi:10.1007/s12155-022-10406-4
Keller, K.; Wan, S.; Borchers, M.; Lott, P.; Suntz, R.; Deutschmann, O.; Wan, S. (2022). Treating NOx emission of hydrogen fueled combustion engines by NOx storage and reduction catalysts: A transient kinetic study including PLIF measurements. Proceedings of the Combustion Institute, 39 (4), 4247–4256. doi:10.1016/j.proci.2022.07.027
Kirchberger, F. M.; Liu, Y.; Plessow, P. N.; Tonigold, M.; Studt, F.; Sanchez-Sanchez, M.; Lercher, J. A. (2022). Mechanistic differences between methanol and dimethyl ether in zeolite-catalyzed hydrocarbon synthesis. Proceedings of the National Academy of Sciences of the United States of America, 119 (4), Art.-Nr. e2103840119. doi:10.1073/pnas.2103840119
Kohansal, K.; Sharma, K.; Haider, M. S.; Toor, S. S.; Castello, D.; Rosendahl, L. A.; Zimmermann, J.; Pedersen, T. H. (2022). Hydrotreating of bio-crude obtained from hydrothermal liquefaction of biopulp: effects of aqueous phase recirculation on the hydrotreated oil. Sustainable Energy and Fuels, 6 (11), 2805–2822. doi:10.1039/D2SE00399F
Koutsonikolas, D.; Karagiannakis, G.; Plakas, K.; Chatzis, V.; Skevis, G.; Giudicianni, P.; Amato, D.; Sabia, P.; Boukis, N.; Stoll, K. (2022). Membrane and Electrochemical Based Technologies for the Decontamination of Exploitable Streams Produced by Thermochemical Processing of Contaminated Biomass. Energies, 15 (7), Art. Nr.: 2683. doi:10.3390/en15072683
Kreitz, B.; Lott, P.; Bae, J.; Blöndal, K.; Angeli, S.; Ulissi, Z. W.; Studt, F.; Goldsmith, C. F.; Deutschmann, O. (2022). Detailed Microkinetics for the Oxidation of Exhaust Gas Emissions through Automated Mechanism Generation. ACS Catalysis, 12 (18), 11137–11151. doi:10.1021/acscatal.2c03378
Krstić, M.; Fink, K.; Sharapa, D. I. (2022). The Adsorption of Small Molecules on the Copper Paddle-Wheel: Influence of the Multi-Reference Ground State. Molecules, 27 (3), Art.-Nr.: 912. doi:10.3390/molecules27030912
Kuhn, C.; Düll, A.; Rohlfs, P.; Tischer, S.; Börnhorst, M.; Deutschmann, O. (2022). Iron as recyclable energy carrier: Feasibility study and kinetic analysis of iron oxide reduction. Applications in Energy and Combustion Science, 12, Art.-Nr.: 100096. doi:10.1016/j.jaecs.2022.100096
Lacerda de Oliveira Campos, B.; John, K.; Beeskow, P.; Herrera Delgado, K.; Pitter, S.; Dahmen, N.; Sauer, J. (2022). A Detailed Process and Techno-Economic Analysis of Methanol Synthesis from H₂ and CO₂ with Intermediate Condensation Steps. Processes, 10 (8), Art.-Nr.: 1535. doi:10.3390/pr10081535
Li, H.; Jelic, J.; Studt, F. (2022). The barrier free splitting of O-H bond in HO and CHOH due to the synergetic effects of single atom (Cu/Fe) coordination change and ZnO(1 1 0) surface oxygen activation. Applied Surface Science, 576, Art.Nr. 151750. doi:10.1016/j.apsusc.2021.151750
Liu, S.; Yang, C.; Zha, S.; Sharapa, D.; Studt, F.; Zhao, Z.-J.; Gong, J. (2022). Moderate Surface Segregation Promotes Selective Ethanol Production in CO Hydrogenation Reaction over CoCu Catalysts. Angewandte Chemie - International Edition, 61 (2), e202109027. doi:10.1002/anie.202109027
Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y. (2022). Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol. Applied catalysis / B, 300, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695
Mantei, F.; Ali, R. E.; Baensch, C.; Voelker, S.; Haltenort, P.; Burger, J.; Dietrich, R.-U.; Assen, N. von der; Schaadt, A.; Sauer, J.; Salem, O. (2022). Techno-economic assessment and carbon footprint of processes for the large-scale production of oxymethylene dimethyl ethers from carbon dioxide and hydrogen. Sustainable energy & fuels, 6 (3), 528–549. doi:10.1039/D1SE01270C
Marchuk, V.; Huang, X.; Murzin, V.; Grunwaldt, J.-D.; Doronkin, D. E. (2022). Operando QEXAFS Study of Pt–Fe Ammonia Slip Catalysts During Realistic Driving Cycles. Topics in Catalysis, 66 (13-14), 825–838. doi:10.1007/s11244-022-01718-y
Maurer, F.; Beck, A.; Jelic, J.; Wang, W.; Mangold, S.; Stehle, M.; Wang, D.; Dolcet, P.; Gänzler, A. M.; Kübel, C.; Studt, F.; Casapu, M.; Grunwaldt, J.-D. (2022). Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation. ACS catalysis, 12, 2473–2486. doi:10.1021/acscatal.1c04565
Mrosk, C.; Kolb, T.; Stapf, D.; Sauer, J. (2022). CarbonCycleLab: Wasserstoff für die Circular Economy = CarbonCycleLab: Hydrogen for the Circular Economy. LookIT. LookKIT : Das Magazin für Forschung, Lehre, Innovation, (01/2022), 38–41.
Neukum, D.; Baumgarten, L.; Wüst, D.; Sarma, B. B.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D. (2022). Challenges of green FDCA production from bio‐derived HMF: Overcoming deactivation by concomitant amino acids. ChemSusChem, 15 (13), e202200418. doi:10.1002/cssc.202200418
Pandit, L.; Serrer, M.-A.; Saraҫi E.; Boubnov, A.; Grunwaldt, J.-D. (2022). 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, 2 (1), e202100078. doi:10.1002/cmtd.202100078
Perret, L.; Boukis, N.; Sauer, J. (2022). Methods of reaction and reactor engineering to adjust product ratios and increase efficiency of syngas fermentation with Clostridium ljungdahlii. Chemie Ingenieur Technik, 94 (9), 1252. doi:10.1002/cite.202255034
Perret, L.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Zevaco, T. A.; Neumann, A.; Sauer, J. (2022). CO Fixation to Elementary Building Blocks: Anaerobic Syngas Fermentation vs. Chemical Catalysis. Chemie Ingenieur Technik, 94 (11), 1667–1687. doi:10.1002/cite.202200153
Plessow, P. N.; Campbell, C. T. (2022). Influence of Adhesion on the Chemical Potential of Supported Nanoparticles as Modeled with Spherical Caps. ACS Catalysis, 12 (4), 2302–2308. doi:10.1021/acscatal.1c04633
Plessow, P. N.; Enss, A. E.; Huber, P.; Studt, F. (2022). A new mechanistic proposal for the aromatic cycle of the MTO process based on a computational investigation for H-SSZ-13. Catalysis Science and Technology, 12 (11), 3516–3523. doi:10.1039/D2CY00021K
Popov, I.; Bügel, P.; Kozlowska, M.; Fink, K.; Studt, F.; Sharapa, D. I. (2022). Analytical Model of CVD Growth of Graphene on Cu(111) Surface. Nanomaterials, 12 (17), Art.Nr. 2963. doi:10.3390/nano12172963
Prestigiacomo, C.; Zimmermann, J.; Hornung, U.; Raffelt, K.; Dahmen, N.; Scialdone, O.; Galia, A. (2022). Effect of transition metals and homogeneous hydrogen producers in the hydrothermal liquefaction of sewage sludge. Fuel Processing Technology, 237, Art.-Nr.: 107452. doi:10.1016/j.fuproc.2022.107452
Qin, S.; Denisov, N.; Sarma, B. B.; Hwang, I.; Doronkin, D. E.; Tomanec, O.; Kment, S.; Schmuki, P. (2022). Pt Single Atoms on TiO 2 Polymorphs—Minimum Loading with a Maximized Photocatalytic Efficiency. Advanced Materials Interfaces, 9 (22), Art.-Nr.: 2200808. doi:10.1002/admi.202200808
Santos, T. M.; Silva, W. R. da; Carregosa, J. de C.; Schmitt, C. C.; Moreira, R.; Raffelt, K.; Dahmen, N.; Wisniewski, A., Jr. (2022). Thermal Conversion of Sugarcane Bagasse Coupled with Vapor Phase Hydrotreatment over Nickel-Based Catalysts: A Comprehensive Characterization of Upgraded Products. Catalysts, 12 (4), 355. doi:10.3390/catal12040355
Sarmah, N.; Sharma, D.; Mehta, B. K.; Shrivastava, B. D.; Das, B. K.; Zimina, A.; Gaur, A. (2022). Probing the electronic nature of Co centers forming the planar ring in octa-nuclear Co complexes using X-ray absorption spectroscopy. Journal of Molecular Structure, 1263, Art.-Nr.: 133125. doi:10.1016/j.molstruc.2022.133125
Sayegh, A.; Merkert, S.; Zimmermann, J.; Horn, H.; Saravia, F. (2022). Treatment of Hydrothermal-Liquefaction Wastewater with Crossflow UF for Oil and Particle Removal. Membranes, 12 (3), Art.-Nr.: 255. doi:10.3390/membranes12030255
Schulte, M.; Weber, S.; Klag, L.; Grunwaldt, J.-D.; Sheppard, T. L. (2022). Synchrotron PXRD deconvolutes nickel particle and support changes in Ni/ZrO methanation catalysts. Catalysis Science & Technology, 12 (20), 6069–6083. doi:10.1039/D2CY00972B
Schumann, M.; Grunwaldt, J.-D.; Jensen, A. D.; Christensen, J. M. (2022). Investigations of mechanism, surface species and support effects in CO hydrogenation over Rh. Journal of Catalysis, 414, 90–100. doi:10.1016/j.jcat.2022.08.031
Seid, N.; Griesheimer, P.; Neumann, A. (2022). Investigating the Processing Potential of Ethiopian Agricultural Residue Enset/Ensete ventricosum for Biobutanol Production. Bioengineering, 9 (4), Art.-Nr.: 133. doi:10.3390/bioengineering9040133
Seitz, L. C.; Doronkin, D. E.; Hauschild, D.; Casapu, M.; Zengel, D.; Zimina, A.; Kreikemeyer-Lorenzo, D.; Blum, M.; Yang, W.; Grunwaldt, J.-D.; Heske, C.; Weinhardt, L. (2022). Direct Observation of Reactant, Intermediate, and Product Species for Nitrogen Oxide-Selective Catalytic Reduction on Cu-SSZ-13 Using In Situ Soft X-ray Spectroscopy. The Journal of Physical Chemistry C, 126 (49), 20998–21009. doi:10.1021/acs.jpcc.2c04736
Semmel, M.; Steiner, L.; Bontrup, M.; Sauer, J.; Salem, O. (2022). Catalyst screening and reaction kinetics of liquid phase DME synthesis under reactive distillation conditions. Chemical Engineering Journal, 455, Art.Nr. 140525. doi:10.1016/j.cej.2022.140525
Şen, A. U.; Fonseca, F. G.; Funke, A.; Pereira, H.; Lemos, F. (2022). Pyrolysis kinetics and estimation of chemical composition of Quercus cerris cork. Biomass Conversion and Biorefinery, 12, 4835–4845. doi:10.1007/s13399-020-00964-y
Soares Dias, A. P.; Gomes Fonseca, F.; Catarino, M.; Gomes, J. (2022). Biodiesel Glycerin Valorization into Oxygenated Fuel Additives. Catalysis Letters, 152, 513–522. doi:10.1007/s10562-021-03646-0
Stehle, M.; Gaur, A.; Weber, S.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D. (2022). Complementary operando insights into the activation of multicomponent selective propylene oxidation catalysts. Journal of catalysis, 408, 339–355. doi:10.1016/j.jcat.2021.08.053
Su, Y.; Guo, B.; Hornung, U.; Dahmen, N. (2022). FeCl₃-supported solvothermal liquefaction of Miscanthus in methanol. Energy, 258, Art.-Nr.: 124971. doi:10.1016/j.energy.2022.124971
Sun, X.; Yu, J.; Cao, S.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Xu, H.; Li, S.; Liu, Y.; Sun, J. (2022). In Situ Investigations on Structural Evolutions during the Facile Synthesis of Cubic α-MoC Catalysts. Journal of the American Chemical Society, 144 (49), 22589–22598. doi:10.1021/jacs.2c08979
Tikhonov, D. S.; Scutelnic, V.; Sharapa, D. I.; Krotova, A. A.; Dmitrieva, A. V.; Obenchain, D. A.; Schnell, M. (2022). Structures of the (Imidazole)nH+ . Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations. Structural Chemistry, 34 (1), 203–213. doi:10.1007/s11224-022-02053-4
Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E. (2022). Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor. Reaction chemistry & engineering, 7 (3), 730–740. doi:10.1039/D1RE00499A
Treu, P.; Huber, P.; Plessow, P. N.; Studt, F.; Saraçi, E. (2022). Lewis acid Sn-Beta catalysts for the cycloaddition of isoprene and methyl acrylate: a greener route to bio-derived monomers. Catalysis Science & Technology, 12 (24), 7439–7447. doi:10.1039/D2CY01337A
Treu, P.; Sarma, B. B.; Grunwaldt, J.-D.; Saraçi, E. (2022). Oxidative cleavage of vicinal diols catalyzed by monomeric Fe‐sites inside MFI zeolite. ChemCatChem, 14 (21), e202200993. doi:10.1002/cctc.202200993
Trinkies, L. L.; Düll, A.; Zhang, J.; Urban, S.; Deschner, B. J.; Kraut, M.; Ladewig, B. P.; Weltin, A.; Kieninger, J.; Dittmeyer, R. (2022). Investigation of mass transport processes in a microstructured membrane reactor for the direct synthesis of hydrogen peroxide. Chemical engineering science, 248, Ar. Nr.: 117145. doi:10.1016/j.ces.2021.117145
Uzunidis, G.; Behrens, S. (2022). Pd/Ag Nanoparticles Prepared in Ionic Liquids as Model Catalysts for the Hydrogenation of Diphenylacetylene . Chemie - Ingenieur - Technik, 94 (3), 328–339. doi:10.1002/cite.202100163
Virt, M.; Arnold, U. (2022). Effects of Oxymethylene Ether in a Commercial Diesel Engine. Cognitive Sustainability, 1 (3). doi:10.55343/cogsust.20
Visser, N. L.; Daoura, O.; Plessow, P. N.; Smulders, L. C. J.; Rijk, J. W. de; de Rijk, J. W.; Stewart, J. A.; Vandegehuchte, B. D.; Studt, F.; van der Hoeven, J. E. S. (2022). Particle Size Effects of Carbon Supported Nickel Nanoparticles for High Pressure CO 2 Methanation. ChemCatChem, 14 (22), Art.Nr. e202200665. doi:10.1002/cctc.202200665
Wan, S.; Keller, K.; Lott, P.; Shirsath, A. B.; Tischer, S.; Häber, T.; Suntz, R.; Deutschmann, O. (2022). Experimental and numerical investigation of NO oxidation on Pt/Al₂ O₃- and NOₓ storage on Pt/BaO/Al₂ O₃-catalysts. Catalysis Science & Technology, 12 (14), 4456–4470. doi:10.1039/d2cy00572g
Wang, J.; Sauter, E.; Nefedov, A.; Heißler, S.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Wang, Y.; Wöll, C. (2022). Dynamic Structural Evolution of Ceria-Supported Pt Particles: A Thorough Spectroscopic Study. The Journal of Physical Chemistry C, 126 (21), 9051–9058. doi:10.1021/acs.jpcc.2c02420
Wang, S.; Rohlfs, P.; Börnhorst, M.; Schillaci, A.; Marschall, H.; Deutschmann, O.; Wörner, M. (2022). Bubble Cutting by Cylinder – Elimination of Wettability Effects by a Separating Liquid Film. Chemie-Ingenieur-Technik, 94 (3), 385–392. doi:10.1002/cite.202100145
Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kahnt, M.; Jeromin, A.; Kulkarni, S.; Keller, T. F.; Gläser, R.; Sheppard, T. L. (2022). Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X‐Ray Ptychography. Advanced science, 9 (8), 2105432. doi:10.1002/advs.202105432
Weber, S.; Zimmermann, R. T.; Bremer, J.; Abel, K. L.; Poppitz, D.; Prinz, N.; Ilsemann, J.; Wendholt, S.; Yang, Q.; Pashminehazar, R.; Monaco, F.; Cloetens, P.; Huang, X.; Kübel, C.; Kondratenko, E.; Bauer, M.; Bäumer, M.; Zobel, M.; Gläser, R.; Sundmacher, K.; Sheppard, T. L. (2022). Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem, 14 (8), e202101878. doi:10.1002/cctc.202101878
Weyhing, T.; Koch, T.; Wagner, U.; Dahmen, N. (2022). G40 - Ein Schritt zu einem CO-neutralen Benzinkraftstoff. MTZ - Motortechnische Zeitschrift, 83 (9), 30–36. doi:10.1007/s35146-022-0852-4
Wild, S.; Lacerda de Oliveira Campos, B.; Zevaco, T. A.; Guse, D.; Kind, M.; Pitter, S.; Herrera Delgado, K.; Sauer, J. (2022). Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO-rich syngas. Reaction chemistry & engineering, 7 (4), 943–956. doi:10.1039/d1re00470k
Wollak, B.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Alizadefanaloo, S.; Rosowski, F.; Schroer, C.; Grunwaldt, J.-D.; Horn, R. (2022). Exploring Catalyst Dynamics in a Fixed Bed Reactor by Correlative Operando Spatially-Resolved Structure-Activity Profiling. Journal of catalysis, 408, 372–387. doi:10.1016/j.jcat.2021.08.029
Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Pandit, L.; Grunwaldt, J.-D.; Zhang, L.; Xu, H.; Sun, J. (2022). Probing the Nature of Zinc in Copper‐Zinc‐Zirconium Catalysts by Operando Spectroscopies for CO2 Hydrogenation to Methanol. Angewandte Chemie International Edition, 62 (7), Art.Nr. e202216803. doi:10.1002/anie.202216803
Yang, Q.; Kondratenko, V. A.; Petrov, S. A.; Doronkin, D. E.; Saraçi, E.; Lund, H.; Arinchtein, A.; Kraehnert, R.; Skrypnik, A. S.; Matvienko, A. A.; Kondratenko, E. V. (2022). Identifying Performance Descriptors in CO2 Hydrogenation over Iron‐based Catalysts Promoted with Alkali Metals. Angewandte Chemie International Edition, 61 (22), Art.Nr. e202116517. doi:10.1002/anie.202116517
Yu, S.; Guo, B.; Johnsen, S.; Wiegand, G.; Lemmer, U.; Guo, X.; Zhang, M.; Li, Y.; Sprau, C.; Hölscher, H.; Colsmann, A.; Gomard, G. (2022). Nanoporous Polymer Reflectors for Organic Solar Cells. Energy technology, 10 (2), Art.-Nr. 2100676. doi:10.1002/ente.202100676
Zha, S.; Sharapa, D. I.; Liu, S.; Zhao, Z.-J.; Studt, F. (2022). Modeling CoCu Nanoparticles Using Neural Network-Accelerated Monte Carlo Simulations. The Journal of Physical Chemistry A, 126 (50), 9440–9446. doi:10.1021/acs.jpca.2c07888
Zhao, D.; Guo, K.; Han, S.; Doronkin, D. E.; Lund, H.; Li, J.; Grunwaldt, J.-D.; Zhao, Z.; Xu, C.; Jiang, G.; Kondratenko, E. V. (2022). Controlling Reaction-Induced Loss of Active Sites in ZnOₓ/Silicalite-1 for Durable Nonoxidative Propane Dehydrogenation. ACS Catalysis, 12 (8), 4608–4617. doi:10.1021/acscatal.1c05778
Zheng, L.; Casapu, M.; Grunwaldt, J.-D. (2022). Understanding the multiple interactions in vanadium-based SCR catalysts during simultaneous NO and soot abatement. Catalysis Science & Technology, 12 (12), 3969–3981. doi:10.1039/d2cy00432a
Zimmermann, J.; Chiaberge, S.; Iversen, S. B.; Raffelt, K.; Dahmen, N. (2022). Sequential Extraction and Characterization of Nitrogen Compounds after Hydrothermal Liquefaction of Sewage Sludge. Energy & Fuels, 36 (23), 14292–14303. doi:10.1021/acs.energyfuels.2c02622