Publications
2023
Journal Articles
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, Art.-Nr.: 139204. doi:10.1016/j.cej.2022.139204
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
2022
PhD Theses
Grandl, R. (2022, September 14). Simulation der Stoff- und Wärmetransportvorgänge bei der Schnellpyrolyse von Lignocellulose im Doppelschneckenmischreaktor. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000150483
Haltenort, P. (2022, March 3). Demonstration und Evaluation der kontinuierlichen und heterogenkatalysierten Synthese von Oxymethylendimethylethern (OME) aus Dimethylether und Trioxan. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000143343
Siebert, M. (2022, July 29). Intermetallische Verbindungen als Katalysatoren für die Semi-Hydrierung von Acetylen in mikrostrukturierten Reaktoren. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000149045
Zha, S. (2022, October 12). Hierarchical Multiscale Modelling of CoCu Catalyst in CO Hydrogenation : Bridge the Gap between Microscopic and Mesoscopic Systems. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000150313
Journal Articles
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. 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. doi:10.1039/d2nr02612k
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
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
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
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 IrO 2 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). 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
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. 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. 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
Fan, Y.; Meyer, L.; Gong, M.; Krause, B.; Hornung, U.; Dahmen, N. (2022). Understanding the fate of nitrogen during catalytic hydrothermal liquefaction of sewage sludge. Fuel, Art.Nr. 126948. doi:10.1016/j.fuel.2022.126948
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
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. 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. 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. 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
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. 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.; 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, 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
Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D. (2022). Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chemical Reviews. doi:10.1021/acs.chemrev.2c00495
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, 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. 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. doi:10.1021/acs.jpcc.2c04736
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 1– x Catalysts. Journal of the American Chemical Society. 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. doi:10.1007/s11224-022-02053-4
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. 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. 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
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. 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. 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, 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. 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, 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. 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
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 x and soot abatement. Catalysis Science & Technology, 12 (12), 3969–3981. doi:10.1039/d2cy00432a
Conference Papers
Guse, D.; Warmuth, L.; Kreißig, F.; Pitter, S.; Kind, M. (2022). Preparation of Cu/Zn Based Catalyst Precursors – Importance of Thermodynamics and Seeding. The Role of Catalysis for the Energy Transition. DGMK-Event / Petrochemistry, 19–39, Deutsche Wissenschaftliche Gesellschaft für Erdöl, Erdgas und Kohle e.V. (DGMK).
Herfet, M. (2022). Experimental and Simulation Studies of Methanol and DME Synthesis from CO2-rich Syngas on Cu/ZnO/ZrO2 Catalysts. The Role of Catalysis for the Energy Transition, 03–18, Deutsche Wissenschaftliche Gesellschaft für Erdöl, Erdgas und Kohle e.V. (DGMK).
Reports/Preprints
Jurisic, A.; Stapf, D.; Delgado Otalvaro, N.; Herrera Delgado, K.; Sauer, J.; Klumpp, M.; Dittmeyer, R. (2022). Prozess 4.0 Ultraeffizienz und Digitalisierung. Teil 4: Ressourceneffizienz durch Digitalisierung in der Prozessindustrie - Abschlussbericht. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000150157
Presentations
Bagheri, M.; Dadvand, A.; Wörner, M.; Marschall, H. (2022, July 14). A Unified Finite Volume Framework for Phase-field Simulations of Arbitraty Number of Immiscible Incompressible Fluids. 17th OpenFOAM Workshop (OFW 2022), Cambridge, United Kingdom, July 11–14, 2022.
Bagheri, M.; Wörner, M.; Marschall, H. (2022, March 18). Simulating an Arbitrary Number of Immiscible Fluids Using a Phase-Field Method: Development and Validation. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics und Mischvorgänge und Agglomerations- und Schüttguttechnik (2022), Leipzig, Germany, March 16–18, 2022.
Bagheri, M.; Wörner, M.; Marschall, H. (2022, September 29). Drop impact onto a thin liquid film: extension from two to three phase scenarios using phase-field method. 4th International Conference on Numerical Methods in Multiphase Flows (ICNMMF-4 2022), Venice, Italy, September 28–30, 2022.
Barth, S.; Zengel, D.; Casapu, M.; Grunwaldt, J.-D. (2022, August 30). Formation of toxic HCN during NH3-SCR of alternative fuel engines. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Behrendt, G.; Mockenhaupt, B.; Pandit, L.; Boubnov, A.; Saraçi, E.; Chowdhury, C.; Jelić, J.; Studt, F.; Grunwaldt, J.-D.; Behrens, M. (2022, June 28). Dynamics of SMSI in Cu/ZnO catalysts for methanol synthesis: Spectroscopic and theoretical insight from inverse catalysts. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Börnhorst, M.; Homan, T.; Rohlfs, P.; Deen, N. G.; Wörner, M. (2022, February 22). Charakterisierung der Zerteilungsdynamik von Blasen an Zylindern. Jahrestreffen der ProcessNet-Fachgruppen Mehrphasenströmungen, Mechanische Flüssigkeitsabtrennung sowie Zerkleinern und Klassieren (2022), Online, February 21–22, 2022.
Casapu, M.; Dolcet, P.; De Giacinto, A.; Maurer, M.; Czechowsky, J.; Maurer, F.; Gross, S.; Behrens, S.; Studt, F.; Türk, M.; Grunwaldt, J.-D. (2022, June 29). Noble metal particle size and support morphology effects on emission control by mono and bimetallic catalysts. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Chacko, R.; Shirsath, A. B.; Schulte, M. L.; Serrer, M.-A.; Stehle, M.; Angeli, S.; Gossler, H.; Saraçi, E.; Grunwaldt, J.-D.; Deutschmann, O. (2022, May 25). Spatially-Resolved Insights into Local Activity and Structure of Ni-Based CO₂ Methanation Catalyst in Fixed-Bed Reactors. 27th North American Meeting of the Catalysis Society (NAM 2022), New York, NY, USA, May 22–27, 2022.
Das, S.; Marchuk, V.; Sharma, S.; Doronkin, D.; Sanchez, D. F.; Grunwaldt, J.-D.; Sheppard, T. L. (2022, September 13). Chemical Gradients in Pt/Al2O3 and Cu-SSZ-13 Emission Control Catalysts Revealed by Operando XAS-tomography. 7th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VII 2022), Bad Herrenalb, Germany, September 11–13, 2022.
Dolcet, P.; Beck, F. M. A.; Casapu, M.; Grunwaldt, J.-D. (2022, September 5). tracking pt single sites on ceria using advanced operando x-ray techniques. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2022, August 30). Structural dynamics of highly dispersed Pt single sites supported on CeO2 for oxidation reactions. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Doronkin, D. (2022, January 20). Operando XAS Probing Pd Catalysts in HIgh Pressure Chemical Reactors. GlobalXAS Journal Club (2022), Online, January 20, 2022.
Doronkin, D.; Deschner, B. J.; Wang, S.; Dittmeyer, R.; Behrens, S.; Grunwaldt, J.-D. (2022, June 8). Operando high pressure XAS and QEXAFS-XRD to study bimetallic Pd-based catalysts for the direct H2O2 synthesis. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022.
Doronkin, D. E.; Becher, J.; Grunwaldt, J.-D.; Sheppard, T. L. (2022, August 29). Visualizing chemical gradients in a Cu-SSZ-13-washcoated honeycomb catalyst during NH3-SCR. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Grunwaldt, J.-D. (2022, March 22). Catalysis for a clean and sustainable future: Dynamics on different time and complexity scales. European XFEL Science Seminar (2022), Hamburg, Germany, March 22, 2022.
Grunwaldt, J.-D. (2022, January). Research with Photons – Light for the Future, Committee “Research with Synchrotron Radiation”. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022.
Grunwaldt, J.-D. (2022, April 21). Designing and understanding heterogeneous catalysts for clean air and a sustainable future: The potential and role of synchrotron-based methods. GDCh-Kolloquium Chemie (2022), Kiel, Germany, April 21, 2022.
Keller, K.; Lott, P.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2022, May 27). Catalytic total oxidation of methane – Towards a better understanding of the water inhibition effect and the influence of the support material. 27th North American Meeting of the Catalysis Society (NAM 2022), New York, NY, USA, May 22–27, 2022.
Klag, L.; Sheppard, T. L.; Schmidt, M.; Horn, R.; Grunwaldt, J.-D. (2022, August 29). Spatially-resolved insights into activity and structure of mixed metal oxide catalysts during selective propylene and isobutene oxidation. 8th EuChemS Chemistry Congress (2022), Lisbon, Portugal, August 28–September 1, 2022.
Klag, L.; Sheppard, T. L.; Schmidt, M.; Horn, R.; Grunwaldt, J.-D. (2022, September 6). Spatially-resolved insights into structure-activity of mixed metal oxide catalysts during selective propylene and isobutene oxidation. 9th World Congress on Oxidation Catalysis (WCOC 2022), Cardiff, United Kingdom, September 4–8, 2022.
Maurer, F.; Grunwaldt, J.-D. (2022, September 5). New opportunities of synchrotron light for unraveling dynamics and bridging the complexity scales in catalysis. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Maurer, F.; Lott, P.; Murzin, V.; Betz, B.; Votsmeier, M.; Vernoux, P.; Loridant, S.; Bornmann, B.; Frahm, R.; Deutschmann, O.; Casapu, M.; Grunwaldt, J.-D. (2022, January 25). Time and spatially resolved operando QEXAFS studies during activation of Pt/CeO2 for low tem-perature oxidation catalysis. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022.
Neukum, D.; Baumgarten, L.; Wüst, D.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D. (2022, June 7). Comparison of pure and bio-based HMF solution on the activity of noble metal based oxidation catalysts. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022.
Pitter, S.; De Campos, L.; Guse, D.; Delgado, K. H.; Polierer, S.; Sauer, J.; Warmuth, L.; Wild, S.; Kind, M. (2022, June 7). Scalable synthesis of Cu-based catalysts as a tool for accelerated process development. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022.
Sarma, B. B. (2022, May). Understanding Dynamics of Supported Atoms and Clusters with In-Situ/Operando Spectroscopy. 1st Conference of Applied Surface Chemistry (COAST 2022), Wiener Neustadt, Austria, May 16–17, 2022.
Serrer, M.-A.; Zimina, A.; Saraҫi E.; Loewert, M.; Pfeifer, P.; Grunwaldt, J.-D. (2022, March 30). High-pressure XAS & XRD infrastructure for operando catalytic studies at the synchrotron: A Fischer-Tropsch long-term experiment. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Sheppard, T.; Becher, J.; Sanchez, D. F.; Doronkin, D.; Grunwaldt, J.-D. (2022, March 30). Sample environment for multimodal operando hard X-ray tomography of catalysts and functional materials. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Treu, P.; Huber, P.; Plessow, P. N.; Studt, F.; Saraçi, E. (2022, March 25). Bio-terephthalate precursors via the Diels-Alder cycloaddition of isoprene and methyl acrylate over solid Lewis acid Sn-BEA zeolite. 33. Deutsche Zeolith-Tagung (2022), Frankfurt am Main, Germany, March 23–25, 2022.
Treu, P.; Saraçi, E.; Sarma, B. B.; Grunwaldt, J.-D. (2022, June 6). Oxidative C-C bond Cleavage of Vicinal Diols on Isolated Fe-sites in Fe/MFI catalysts. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022.
Tusini, E.; Casapu, M.; Zimina, A.; Grunwaldt, J.-D. (2022, June 8). Operando X-Ray Absorption Spectroscopy of Bimetallic Catalysts for Methane Steam Reforming. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 2022.
Warmuth, L.; Pitter, S. (2022, June 30). Influence of impurities in H2 from different sources on the deactivation of methanol synthesis catalyst. Curiosity - A French German Young Chemists Conference (2022), Mulhouse, France, June 30–July 1, 2022.
Weber, S.; Abel, K.; Gläser, R.; Sheppard, T. (2022, June 27). Understanding of Catalyst Synthesis and Deactivation in 3D with X-ray Ptychography. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Weber, S.; Das, S.; Sharma, S.; Sheppard, T. (2022, September 6). New horizons for catalyst characterisation using hard x-ray tomography. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kulkarni, S.; Keller, T.; Gläser, R.; Sheppard, T. L. (2022, March 29). High-resolution Imaging of the Calcination and Porosity Evolution of Ni/Al2O3 Catalysts by Ptychographic X-ray Microscopy. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Weber, S.; Sheppard, T. L. (2022, August 30). 3D spatially-resolved catalyst characterization by X-ray tomography. 8th EuChemS Chemistry Congress (2022), Lisbon, Portugal, August 28–September 1, 2022.
Wollak, B.; Sheppard, T.; Espinoza, D.; Doronkin, D.; Sturm, M.; Dippel, A.; Gutowski, O.; Korup, O.; Schmidt, M.; Horn, R. (2022, June 27). Fixed-bed Reactor for Operando Structure-Activity Profiling. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Wollak, B.; Sheppard, T. L.; Doronkin, D. E.; Dippel, A.-C.; Sturm, M.; Gutowski, O.; Schmidt, M.; Korup, O.; Horn, R. (2022, March 31). Fixed-bed Reactor for Operando Spatially-Resolved Structure-Activity Profiling. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Wollak, B.; Horn, R.; Dippel, A.-C.; Sturm, M.; Espinoza, D.; Gutowski, O.; Sheppard, T. L.; Doronkin, D.; Korup, O.; Schmidt, M. (2022, May 23). Fixed-Bed Reactor for Operando Structure-Activity Profiling. 27th North American Meeting of the Catalysis Society (NAM 2022), New York, NY, USA, May 22–27, 2022.
Wollak, B. M.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Horn, R. (2022, March 30). Compact Profile Reactor for Structure-Activity Studies on Solid Catalysts by Spatially Resolved XAS, Concentration- and Temperature Profiling. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Zengel, D.; Barth, S.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D. (2022, August 31). Opportunities and challenges of pre-turbine catalyst application. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Zimmerlin, B.; Eberhard, M.; Dahmen, N.; Lam, H.; Mai, R.; Michelfelder, B.; Niebel, A.; Otto, T.; Pfitzer, C.; Willy, M.; Kolb, T.; Sauer, J.; Stapf, D. (2022, September). Operations of the bioliq® pilot plant - entrained flow gasification in 5 MW pilot scale. 2. Waste2H2-Workshop : Workshop and Summerschool (2022), KIT, September 19–26, 2022.
Posters
Bagheri, M.; Marschall, H.; Wörner, M. (2022, November 3). Impingement of E-Fuel droplets on a wall at elevated gas pressure : A numerical study on fluid dynamic similarity. 3rd International Workshop on Near-Wall Reactive Flows (2022), Darmstadt, Germany, November 3–4, 2022.
Bagheri, M.; Stumpf, B.; Roisman, I. V.; Tropea, C.; Hussong, J.; Wörner, M.; Marschall, H. (2022, September 26). Rotationally symmetric interaction of an impinging drop with a thin wall film of the same liquid – proposal of a benchmark case. 4th International Symposium on Multiscale Multiphase Process Engineering (MMPE 2022), Berlin, Germany, September 25–28, 2022.
Barth, S.; Zengel, D.; Casapu, M.; Grunwaldt, J.-D. (2022, June 28). Effects of HCHO presence during NOx reduction with NH₃. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Barth, S.; Zengel, D.; Casapu, M.; Grunwaldt, J.-D. (2022, September 12). Effects of HCHO presence during NOx reduction with NH3. 7th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VII 2022), Bad Herrenalb, Germany, September 11–13, 2022.
Baumgarten, L.; Neukum, D.; Saraçi, E.; Grunwaldt, J.-D. (2022, January 11). 5-(hydroxymethyl) furfural (HMF) as platform molecule from bio-based feedstocks for noble metal based selective oxidations. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Börnhorst, M.; Homan, T. A. M.; Rohlfs, P.; Deen, N. G.; Wörner, M. (2022, September 27). Dynamics of bubble cutting by interaction with a solid cylinder. 4th International Symposium on Multiscale Multiphase Process Engineering (MMPE 2022), Berlin, Germany, September 25–28, 2022.
Boubnov, A.; Grunwaldt, J.-D. (2022, June 28). X-ray spectroscopy on zinc in methanol catalysts: using theory to understand experimental data. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Boubnov, A. (2022, January 11). X-Ray Spectroscopy on Zinc in Methanol Catalysts: Using Theory to Understand Experimental Data. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Czioska, S. (2022, June 28). Operando Spectroscopy Investigations of Oxygen Evolution Catalysts at low and high Overpotentials. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Czioska, S.; Boubnov, A.; Escalera-Lopez, D.; Geppert, J.; Röse, P.; Saraçi, E.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2022, January 10). Mechanistic and Structural Investigation of OER Catalysts by Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Czioska, S.; Boubnov, A.; Saraçi, E.; Grunwaldt, J.-D. (2022, September 5). X-ray absorption spectroscopy of electrochemical catalysts under demanding conditions. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Das, S.; Marchuk, V.; Doronkin, D. E.; Sanchez, D. F.; Grunwaldt, J.-D.; Sheppard, T. (2022, June 28). Operando hard X-ray spectrotomography of Pt/Al2O3 and Cu-SSZ-13 zeolite emissions control catalysts. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Das, S.; Roeh, J. T.; Lyubomirskiy, M.; Galbierz, V.; Doehrmann, R.; Marx, R.; Schropp, A.; Schroer, C.; Sheppard, T. L. (2022, January 26). 2D in situ nanoreactor for catalyst characterization using hard X-rays and electron microscopy. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022.
Dolcet, P.; Giacinto, A. D.; Maurer, M.; Czechowski, J.; Maurer, F.; Gross, S.; Casapu, M.; Grunwaldt, J.-D. (2022, August 29). Systematic investigation on the effect of ceria morphology on the sintering and redispersion behavior of Pd and Pt nanoparticles. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Eldridge, T.; Kale, S. S.; Dorokin, D.; Casapu, M.; Grunwaldt, J.-D. (2022, September 12). Catalytic Oxidation of Volatile Organic Compounds for Emission Reduction. 7th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VII 2022), Bad Herrenalb, Germany, September 11–13, 2022.
Escalera López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraҫi E.; Krewer, U.; Grunwaldt, J.-D.; Guay, D.; Cherevko, S. (2022, January 10). Strategies to uncover activity-stability relationships in Ir-based catalysts for water splitting. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Gashnikova, D.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2022, August 29). Evolution of Pd single site catalysts supported on CeO2 under CO oxidation conditions monitored by operando XAS and DRIFT spectroscopy. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Gaur, A.; Doronkin, D.; Paripsa, S.; Malzer, W.; Schlesiger, C.; Grunwaldt, J.-D.; Kanngiesser, B.; Lützenkirchen-Hecht, D. (2022, September 5). Xas reference database under DAPHNE4NFDI. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Gaur, A.; Høj, M.; Stehle, M.; Serrer, M.-A.; Stummann, M. Z.; Fontaine, C. L.; Briois, V.; Grunwaldt, J.-D. (2022, September 5). INVESTIGATING THE EFFECT OF REACTION CONDITION PARAMETERS ON THE REVERSIBLE S-O EXCHANGE AT THE ACTIVE SITES OF MoS2 BASED HYDROTREATING CATALYSTS BY ME-XAS. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Heck, S.-L.; Nails, G.; Dolcet, P.; Casapu, M.; Grunwaldt, J.-D. (2022, June 28). Systematic study on the impact of the gas atmosphere on the aging behavior of Pd/CeO2-ZrO2 three-way catalysts. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Heck, S.-L.; Nails, G.; Dolcet, P.; Orduz, H. A. S.; Glatzel, P.; Casapu, M.; Grunwaldt, J.-D. (2022, September 12). Understanding the aging behaviour of Pd based three-way catalysts. 7th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VII 2022), Bad Herrenalb, Germany, September 11–13, 2022.
Heck, S.-L.; Nails, G.; Dolcet, P.; Orduz, H. A. S.; Glatzel, P.; Casapu, M.; Grunwaldt, J.-D. (2022, August 29). Systematic investigation on the effect of noble metal precursor and gas atmosphere on the aging of Pd/CeO2-ZrO2 TWC. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Keller, K.; Lott, P.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2022, September 12). Catalytic total oxidation of methane – Towards a better understanding of the water inhibition effect and the influence of the support material. 7th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VII 2022), Bad Herrenalb, Germany, September 11–13, 2022.
Klag, L.; Stehle, M.; Sheppard, T.; Grunwaldt, J.-D. (2022, June 28). Monitoring the structural changes of Bi-Mo-Co-Fe-O catalysts during selective isobutene oxidation by complementary operando techniques. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Marchuk, V.; Doronkin, D. E.; Grunwaldt, J.-D. (2022, August 29). Operando QEXAFS study of diesel exhaust ammonia slip catalysts during realistic driving cycles. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Marchuk, V.; Doronkin, D. E.; Grunwaldt, J.-D. (2022, March 30). Operando QEXAFS study of diesel exhaust ammonia slip catalysts during realistic driving cycles. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Maurer, F.; Dolcet, P.; Gänzler, A.; Casapu, M.; Grunwaldt, J.-D. (2022, March 30). Tracking the evolution of Pt single site catalysts during CO oxidation using QEXAFS, HERFD-XANES and MCR-ALS as advanced tools. 14th International Conference on Synchrotron Radiation Instrumentation (SRI 2022), Online, March 28–April 1, 2022.
Maurer, F.; Struzek, S.; Delrieux, T.; Lott, P.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D. (2022, August 29). Activation of Pt/CeO2 catalysts under applied conditions: from powder catalysts to monoliths. 12th International Congress on Catalysis and Automotive Pollution Control (CAPoC 2022), Brussels, Belgium, August 29–31, 2022.
Neukum, D.; Baumgarten, L.; Wüst, D.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D. (2022, June 28). Comparison of pure and bio-based HMF solution on the activity of noble metal based oxidation catalysts. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Pandit, L.; Boubnov, A.; Saraçi, E.; Grunwaldt, J.-D. (2022, June 28). Unraveling the Zn-Cu interaction on model Cu/MgO:ZnO methanol catalyst during activation by in-situ XAS. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Sarma, B. B.; Neukum, D.; Jelic, J.; Studt, F.; Grunwaldt, J.-D. (2022, June 28). Understanding Dynamics of Supported Atom with In-situ DRIFTS and XAS Spectroscopy. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Schropp, A.; Alizadehfanaloo, S.; Garrevoet, J.; Seyrich, M.; Murzin, V.; Wollak, B.; Horn, R.; Becher, J.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G. (2022, January 26). Rapid XANES Imaging to Visualize Structural Changes in Catalysis. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022.
Schropp, A.; Döhrmann, R.; Botta, S.; Brückner, D.; Kahnt, M.; Lyubomirskiy, M.; Ossig, C.; Scholz, M.; Seyrich, M.; Stückelberger, M.; Wiljes, P.; Wittwer, F.; Garrevoet, J.; Falkenberg, G.; Fam, Y.; Sheppard, T.; Grunwaldt, J.-D.; Schroer, C. (2022, September 6). PTyNAMi: Ptychographic nano-analytical microscope. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Schulte, M.; Chacko, R.; Serrer, M.-A.; Stehle, M.; Angeli, S.; Gossler, H.; Shirsath, A.; Saraçi, E.; Deutschmann, O.; Grunwaldt, J.-D. (2022, June 28). Spatially-resolved insights into local activity and structure of Ni-based CO2 methanation catalysts in fixed-bed reactors. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Schulte, M. L.; Chacko, R.; Serrer, M.-A.; Stehle, M.; Angeli, S.; Gossler, H.; Shirsath, A. B.; Saraçi, E.; Deutschmann, O.; Grunwaldt, J.-D. (2022, January 10). Spatially-Resolved Insights into Local Activity and Structure of Ni Based CO2 Methanation Catalysts in Fixed-Bed Reactors. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Sharma, S.; Das, S.; Sanchez, D. F.; Marchuk, V.; Doronkin, D.; Delrieux, T.; Grunwaldt, J.-D.; Sheppard, T. (2022, September 5). Hard x-ray tomography for 3D spatially-resolved multiscale and multimodal characterization of non-model catalysts. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Stehle, M.; Klag, L.; Gaur, A.; Weber, S.; Sheppard, T.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D. (2022, June 28). Multimodal operando insights into the activation of complex multicomponent catalysts during selective oxidation of propylene. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Struzek, S.; Delrieux, T.; Maurer, F.; Lott, P.; Tomin, S.; Casapu, M.; Koch, T.; Deutschmann, O.; Grunwaldt, J.-D. (2022, June 28). Spatially resolved characterization and conversion measurements on Pt/CeO2 based oxidation catalysts for emission control under realistic conditions. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Struzek, S.; Delrieux, T.; Zimina, A.; Goncalves, D. S.; Czechowsky, J.; Maurer, F.; Grunwaldt, J.-D. (2022, September 5). Characterization of industrial relevant catalytic materials for emission control using x-ray absorption spectroscopy. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Titus, J.; Abel, K. L.; Kuschel, O.; Weber, S.; Poppitz, D.; Sheppard, T.; Gläser, R. (2022, January 10). Control of Textural Properties and Ni Species of Ni-Catalysts Supported on Si-Stabilized ZrO₂. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Treu, P.; Huber, P.; Plessow, P.; Studt, F.; Saraçi, E. (2022, June 28). Bio-derived terephthalic acid precursors via the Diels-Alder reaction of isoprene and acrylate over solid Lewis acid Sn-BEA. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Warmuth, L.; Polierer, S.; Zevaco, T. A.; Pitter, S. (2022, June 27). Influence of impurities in H2 from different sources on the deactivation of methanol synthesis catalysts. 55. Jahrestreffen Deutscher Katalytiker (2022), Weimar, Germany, June 27–29, 2022.
Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2022, January 10). X-ray Ptychography as a Tool to Understand Catalyst Synthesis and Deactivation in 3D. 758th WE-Heraeus Seminar (2022), Online, January 10–13, 2022.
Weber, S.; Schropp, A.; Lyubomirskiy, M.; Kahnt, M.; Jeromin, A.; Kulkarni, S.; Keller, T. F.; Sheppard, T. L. (2022, January 26). In situ Study of the Porosity Evolution of a Hierarchically Porous Catalyst by X-ray Ptychography. European XFEL Users’ Meeting / DESY Photon Science Users’ Meeting (2022), Online, January 21–28, 2022.
Wollak, B.; Sheppard, T.; Espinoza, D.; Doronkin, D.; Sturm, M.; Dippel, A.-C.; Gutowski, O.; Korup, O.; Schmidt, M.; Horn, R. (2022, September 5). Fixed-Bed Reactor for Operando Structure-Activity Profiling. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Zimina, A.; Goncalves, D. S.; Serrer, M.-A.; Pandit, L.; Eggart, D.; Grunwaldt, J.-D. (2022, September 6). Catalysis at the cat-act x-ray spectroscopy beamline at kit light source. German conference for research with synchrotron radiation, neutrons and ion beams at large facilities (SNI 2022), Berlin, Germany, September 5–7, 2022.
Research Data
Dadvand, A.; Bagheri, M.; Samkhaniani, N.; Marschall, H.; Wörner, M. (2022, March 10). Research data for publication Dadvand et al. (2021) Physics-of-Fluids (doi: 10.1063/5.0048614). doi:10.5445/IR/1000134627
2021
Book Chapters
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Tracking the evolution of Pt single sites on CeO2. ESRF Highlights 2020, 123–125.
Semmel, M.; Ali, R. E.; Ouda, M.; Schaadt, A.; Sauer, J.; Hebling, C. (2021). Power-to-DME: a cornerstone towards a sustainable energy system. Power to Fuel., 123–151, Elsevier. doi:10.1016/B978-0-12-822813-5.00010-2
PhD Theses
Carriel Schmitt, C. (2021, January 7). Catalytic upgrading of fast pyrolysis bio-oils applying nickel-based catalysts. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000127623
Fec̆ík M. (2021, March 30). Theoretical studies of dehydration reactions and the aromatic cycle of the MTO process. PhD dissertation. Karlsruher Institut für Technologie (KIT).
Smith, A. (2021, September 17). Theoretical Studies of Catalyst Structure and Kinetics in the MTO Process. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000137528
Stoll, I. K. (2021, October 8). Einfluss eines erhöhten Prozessdrucks bei der Fermentation von Synthesegas: Charakterisierung der Druckfermentation im Rührkesselreaktor. PhD dissertation. Karlsruher Institut für Technologie (KIT).
Wodarz, S. (2021, February 2). Untersuchungen zum DTG-Prozess an pelletierten Zeolithkatalysatoren. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000128673
Journal Articles
Akhmetov, V.; Feofanov, M.; Sharapa, D. I.; Amsharov, K. (2021). Alumina-Mediated π-Activation of Alkynes. Journal of the American Chemical Society, 143 (37), 15420–15426. doi:10.1021/jacs.1c07845
Alizadehfanaloo, S.; Garrevoet, J.; Seyrich, M.; Murzin, V.; Becher, J.; Doronkin, D. E.; Sheppard, T. L.; Grunwaldt, J.-D.; Schroer, C. G.; Schropp, A. (2021). Tracking dynamic structural changes in catalysis by rapid 2D-XANES microscopy. Journal of synchrotron radiation, 28 (5). doi:10.1107/S1600577521007074
Amsler, J.; Plessow, P. N.; Studt, F.; Bučko, T. (2021). Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration. Journal of chemical theory and computation, 17 (2), 1155–1169. doi:10.1021/acs.jctc.0c01022
Amsler, J.; Plessow, P. N.; Studt, F. (2021). Effect of Impurities on the Initiation of the Methanol-to-Olefins Process: Kinetic Modeling Based on Ab Initio Rate Constants. Catalysis letters, 15 (9), 2595–2602. doi:10.1007/s10562-020-03492-6
Awasthi, M. K.; Rai, R. K.; Behrens, S.; Singh, S. K. (2021). Low-temperature hydrogen production from methanol over a ruthenium catalyst in water. Catalysis science & technology, 11 (1), 136–142. doi:10.1039/d0cy01470b
Bakhshan, M.; Wörner, M.; Dadvand, A. (2021). Simulation of droplet impingement on a rigid square obstacle in a microchannel using multiphase lattice Boltzmann method. Computational Particle Mechanics, 95. doi:10.1007/s40571-020-00384-9
Bartenbach, D.; Wenzel, O.; Popescu, R.; Faden, L.-P.; Reiß, A.; Kaiser, M.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C. (2021). Liquid‐Phase Synthesis of Highly Reactive Rare‐Earth Metal Nanoparticles. Angewandte Chemie / International edition, 60 (32), 17373–17377. doi:10.1002/anie.202104955
Becher, J.; Sanchez, D. F.; Doronkin, D. E.; Zengel, D.; Meira, D. M.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Chemical gradients in automotive Cu-SSZ-13 catalysts for NO removal revealed by operando X-ray spectrotomography. Nature catalysis, 4, 46–53. doi:10.1038/s41929-020-00552-3
Becher, J.; Weber, S.; Ferreira Sanchez, D.; Doronkin, D. E.; Garrevoet, J.; Falkenberg, G.; Motta Meira, D.; Pascarelli, S.; Grunwaldt, J.-D.; Sheppard, T. L. (2021). Sample Environment for Operando Hard X-ray Tomography—An Enabling Technology for Multimodal Characterization in Heterogeneous Catalysis. Catalysts, 11 (4), Art.-Nr.: 459. doi:10.3390/catal11040459
Boronin, A. I.; Slavinskaya, E.; Kibis, L.; Stonkus, O.; Svintsitskiy, D.; Stadnichenko, A.; Fedorova, E.; Romanenko, A.; Marchuk, V.; Doronkin, D. (2021). The effects of platinum dispersion and Pt state on catalytic properties of Pt/Al2O3 in NH3 oxidation. ChemCatChem, 13 (1), 313–327. doi:10.1002/cctc.202001320
Boukis, N.; Stoll, I. K. (2021). Gasification of biomass in supercritical water, challenges for the process design—lessons learned from the operation experience of the first dedicated pilot plant. Processes, 9 (3), 1–17. doi:10.3390/pr9030455
Cao, Y.; Guo, L.; Dan, M.; Doronkin, D. E.; Han, C.; Rao, Z.; Liu, Y.; Meng, J.; Huang, Z.; Zheng, K.; Chen, P.; Dong, F.; Zhou, Y. (2021). Modulating electron density of vacancy site by single Au atom for effective CO photoreduction. Nature Communications, 12 (1), Art.-Nr.: 1675. doi:10.1038/s41467-021-21925-7
Cao, Z.; Hülsemann, B.; Wüst, D.; Oechsner, H.; Lautenbach, A.; Kruse, A. (2021). Effect of residence time during hydrothermal carbonization of biogas digestate on the combustion characteristics of hydrochar and the biogas production of process water. Bioresource Technology, 333, Art.-Nr.: 125110. doi:10.1016/j.biortech.2021.125110
Cattaneo, S.; Capelli, S.; Stucchi, M.; Bossola, F.; Dal Santo, V.; Araujo-Lopez, E.; Sharapa, D. I.; Studt, F.; Villa, A.; Chieregato, A.; Vandegehuchte, B. D.; Prati, L. (2021). Discovering the role of substrate in aldehyde hydrogenation. Journal of Catalysis, 399, 162–169. doi:10.1016/j.jcat.2021.05.012
Czioska, S.; Boubnov, A.; Escalera-López, D.; Geppert, J.; Zagalskaya, A.; Röse, P.; Saraçi, E.; Alexandrov, V.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2021). Increased Ir–Ir Interaction in Iridium Oxide during the Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. ACS catalysis, 11 (15), 10043–10057. doi:10.1021/acscatal.1c02074
Dadvand, A.; Bagheri, M.; Samkhaniani, N.; Marschall, H.; Wörner, M. (2021). Advected phase-field method for bounded solution of the Cahn–Hilliard Navier–Stokes equations. Physics of fluids, 33 (5), Art.-Nr.: 053311. doi:10.1063/5.0048614
Dahmen, N.; Deiters, U. K.; Tuma, D. (2021). Professor Dr. rer. nat. Gerhard Manfred Schneider (May 7, 1932 – October 16, 2020): Professor and Chair of Physical Chemistry, Ruhr-University, Bochum, Germany (1969-1997). The journal of supercritical fluids, 174, Art.-Nr.: 105219. doi:10.1016/j.supflu.2021.105219
Dahmen, N.; Sauer, J. (2021). Evaluation of techno‐economic studies on the bioliq® process for synthetic fuels production from biomass. Processes, 9 (4), Art.-Nr.: 684. doi:10.3390/pr9040684
Delgado Otalvaro, N.; Gül Bilir, P.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Modeling the Direct Synthesis of Dimethyl Ether using Artificial Neural Networks. Chemie - Ingenieur - Technik, 93 (5), 754–761. doi:10.1002/cite.202000226
Delgado Otalvaro, N.; Sogne, G.; Herrera Delgado, K.; Wild, S.; Pitter, S.; Sauer, J. (2021). Kinetics of the direct DME synthesis from CO rich syngas under variation of the CZA-to-γ-AlO ratio of a mixed catalyst bed. RSC Advances, 11 (40), 24556–24569. doi:10.1039/d1ra03452a
Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Rabsch, G.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Continuous-flow reactor setup for X-ray absorption spectroscopy of high pressure heterogeneous liquid–solid catalytic processes. Review of scientific instruments, 92 (12), Article no: 124101. doi:10.1063/5.0057011
Deschner, B. J.; Doronkin, D. E.; Sheppard, T. L.; Zimina, A.; Grunwaldt, J.-D.; Dittmeyer, R. (2021). Effect of Selectivity Enhancers on the Structure of Palladium during High-Pressure Continuous-Flow Direct Synthesis of Hydrogen Peroxide in Ethanol. The journal of physical chemistry <Washington, DC> / C, 125 (6), 3451–3462. doi:10.1021/acs.jpcc.0c11246
Dietrich, C.; Chen, S.; Uzunidis, G.; Hähsler, M.; Träutlein, Y.; Behrens, S. (2021). Bimetallic Pd/Sn‐based Nanoparticles and their Catalytic Properties in the Semihydrogenation of Diphenylacetylene. ChemistryOpen, 10 (2), 296–304. doi:10.1002/open.202000298
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Insights into the Structural Dynamics of Pt/CeO Single-Site Catalysts during CO Oxidation. Catalysts, 11 (5), Art.-Nr. 617. doi:10.3390/catal11050617
Doronkin, D. E.; Casapu, M. (2021). Present Challenges in Catalytic Emission Control for Internal Combustion Engines. Catalysts, 11 (9), Art.-Nr. 1019. doi:10.3390/catal11091019
Drexler, M.; Haltenort, P.; Zevaco, T. A.; Arnold, U.; Sauer, J. (2021). Synthesis of tailored oxymethylene ether (OME) fuels via transacetalization reactions. Sustainable energy & fuels, 5 (17), 4311–4326. doi:10.1039/d1se00631b
Dusold, C.; Sharapa, D. I.; Hampel, F.; Hirsch, A. (2021). π‐Extended Diaza[7]helicenes by Hybridization of Naphthalene Diimides and Hexa‐peri‐hexabenzocoronenes. Chemistry - a European journal, 27 (7), 2332–2341. doi:10.1002/chem.202003402
Egeberg, A.; Faden, L.-P.; Zimina, A.; Grunwaldt, J.-D.; Gerthsen, D.; Feldmann, C. (2021). Liquid-phase Synthesis of Highly Oxophilic Zerovalent Niobium and Tantalum Nanoparticles. Chemical communications, 57, 3648–3651. doi:10.1039/D1CC00681A
Eggart, D.; Zimina, A.; Cavusoglu, G.; Casapu, M.; Doronkin, D. E.; Lomachenko, K. A.; Grunwaldt, J.-D. (2021). Versatile and high temperature spectroscopic cell for operando fluorescence and transmission x-ray absorption spectroscopic studies of heterogeneous catalysts. Review of scientific instruments, 92 (2), Art.-Nr. 023106. doi:10.1063/5.0038428
Erdogan, S.; Schulenberg, T.; Deutschmann, O.; Wörner, M. (2021). Evaluation of models for bubble-induced turbulence by DNS and utilization in two-fluid model computations of an industrial pilot-scale bubble column. Chemical Engineering Research and Design, 175, 283–295. doi:10.1016/j.cherd.2021.09.012
Escalera-López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraçi, E.; Krewer, U.; Grunwaldt, J.-D.; Cherevko, S. (2021). Phase- and Surface Composition-Dependent Electrochemical Stability of Ir-Ru Nanoparticles during Oxygen Evolution Reaction. ACS catalysis, 11 (15), 9300–9316. doi:10.1021/acscatal.1c01682
Fan, Y.; Fonseca, F. G.; Gong, M.; Hoffmann, A.; Hornung, U.; Dahmen, N. (2021). Energy valorization of integrating lipid extraction and hydrothermal liquefaction of lipid-extracted sewage sludge. Journal of cleaner production, 285, Art.Nr. 124895. doi:10.1016/j.jclepro.2020.124895
Fečík, M.; Plessow, P. N.; Studt, F. (2021). Theoretical investigation of the side-chain mechanism of the MTO process over H-SSZ-13 using DFT and calculations. Catalysis science & technology, 11 (11), 3826–3833. doi:10.1039/d1cy00433f
Fečík, M.; Plessow, P. N.; Studt, F. (2021). Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites. ChemCatChem, 13 (10), 2451–2458. doi:10.1002/cctc.202100009
Fonseca, F. G.; Soares Dias, A. P. (2021). Almond shells: Catalytic fixed-bed pyrolysis and volatilization kinetics. Renewable Energy, 180, 1380–1390. doi:10.1016/j.renene.2021.08.104
Freund, H.; Sauer, J.; Wachsen, O. (2021). „Circular Economy” – ein neues und zugleich altes Arbeitsgebiet der Reaktionstechnik. Chemie - Ingenieur - Technik, 93 (5), 735. doi:10.1002/cite.202170502
Gaur, A.; Sharma, D.; Nitin Nair, N.; Mehta, B. K.; Shrivastava, B. D.; Gogoi, M.; Sarmah, N.; Das, B. K. (2021). Investigating cubane formation and effect of co-crystallization agents in oxo-bridged Co complexes using X-ray absorption spectroscopy. Journal of molecular structure, 1244, Art.-Nr.: 130869. doi:10.1016/j.molstruc.2021.130869
Goncalves, T. J.; Plessow, P. N.; Studt, F. (2021). Theoretical Study on the NO Selective Catalytic Reduction on Single-Cu Sites and Brønsted Acid Sites in Cu-SSZ-13. The journal of physical chemistry <Washington, DC> / C, 125 (23), 12594–12602. doi:10.1021/acs.jpcc.1c01066
Goodman, E. D.; Carlson, E. Z.; Dietze, E. M.; Tahsini, N.; Johnson, A.; Aitbekova, A.; Nguyen Taylor, T.; Plessow, P. N.; Cargnello, M. (2021). Size-controlled nanocrystals reveal spatial dependence and severity of nanoparticle coalescence and Ostwald ripening in sintering phenomena. Nanoscale, 13 (2), 930–938. doi:10.1039/d0nr07960j
Gossler, S.; Ruwe, L.; Yuan, W.; Yang, J.; Chen, X.; Schmitt, S.; Maier, L.; Kohse-Höinghaus, K.; Qi, F.; Deutschmann, O. (2021). Exploring the interaction kinetics of butene isomers and NO at low temperatures and diluted conditions. Combustion and Flame, 233, Art.-Nr.: 111557. doi:10.1016/j.combustflame.2021.111557
Hähsler, M.; Nádasi, H.; Feneberg, M.; Marino, S.; Giesselmann, F.; Behrens, S.; Eremin, A. (2021). Magnetic Tilting in Nematic Liquid Crystals Driven by Self‐Assembly. Advanced functional materials, 31 (31), Art.Nr. 2101847. doi:10.1002/adfm.202101847
Hakimioun, A. H.; Dietze, E. M.; Vandegehuchte, B. D.; Curulla-Ferre, D.; Joos, L.; Plessow, P. N.; Studt, F. (2021). Theoretical Investigation of the Size Effect on the Oxygen Adsorption Energy of Coinage Metal Nanoparticles. Catalysis letters, 151, 3165–3169. doi:10.1007/s10562-021-03567-y
Halim, R.; Papachristou, I.; Kubisch, C.; Nazarova, N.; Wüstner, R.; Steinbach, D.; Chen, G. Q.; Deng, H.; Frey, W.; Posten, C.; Silve, A. (2021). Hypotonic osmotic shock treatment to enhance lipid and protein recoveries from concentrated saltwater Nannochloropsis slurries. Fuel, 287, Art.-Nr.: 119442. doi:10.1016/j.fuel.2020.119442
Henrich, E.; Dahmen, N.; Pitter, S.; Sauer, J. (2021). 30 Jahre Institut für Heiße Chemie im Kernforschungszentrum Karlsruhe [30 Years Institute for Hot Chemistry at the Nuclear Research Center Karlsruhe]. Chemie - Ingenieur - Technik, 93 (11), 1667–1687. doi:10.1002/cite.202100064
Hoeven, J. E. S. van der; Jelic, J.; Olthof, L. A.; Totarella, G.; Dijk-Moes, R. J. A. van; Krafft, J.-M.; Louis, C.; Studt, F.; Blaaderen, A. van; Jongh, P. E. de. (2021). Unlocking synergy in bimetallic catalysts by core–shell design. Nature Materials, 20, 1216–1220. doi:10.1038/s41563-021-00996-3
Jung, D.; Duman, G.; Zimmermann, M.; Kruse, A.; Yanik, J. (2021). Hydrothermal carbonization of fructose—effect of salts and reactor stirring on the growth and formation of carbon spheres. Biomass Conversion and Biorefinery. doi:10.1007/s13399-021-01782-6
Kapuśniak, Ł.; Plessow, P. N.; Trzybiński, D.; Woźniak, K.; Hofmann, P.; Jolly, P. I. (2021). A mild one-pot reduction of phosphine(V) oxides affording phosphines(III) and their metal catalysts. Organometallics, 40, 693–701. doi:10.1021/acs.organomet.0c00788
Karp, S. G.; Medina, J. D. C.; Letti, L. A. J.; Woiciechowski, A. L.; Carvalho, J. C. de; Schmitt, C. C.; Oliveira Penha, R. de; Kumlehn, G. S.; Soccol, C. R. (2021). Bioeconomy and biofuels: the case of sugarcane ethanol in Brazil. Biofuels, Bioproducts and Biorefining. doi:10.1002/bbb.2195
Kibis, L. S.; Svintsitskiy, D.; Stadnichenko, A. I.; Slavinskaya, E. M.; Romanenko, A.; Fedorova, E. A.; Stonkus, O. A.; Svetlichnyi, V.; Fakhrutdinova, E. D.; Vorokhta, M.; Šmíd, B.; Doronkin, D. E.; Marchuk, V.; Grunwaldt, J.-D.; Boronin, A. I. (2021). In situ probing of Pt/TiO activity in low-temperature ammonia oxidation. Catalysis science & technology, 11 (1), 250–263. doi:10.1039/d0cy01533d
Kim, Y. Y.; Keller, T. F.; Goncalves, T. J.; Abuin, M.; Runge, H.; Gelisio, L.; Carnis, J.; Vonk, V.; Plessow, P. N.; Vartaniants, I. A.; Stierle, A. (2021). Single alloy nanoparticle x-ray imaging during a catalytic reaction. Science advances, 7 (40), Art.Nr.: eabh0757. doi:10.1126/sciadv.abh0757
Kohansal, K.; Sharma, K.; Toor, S. S.; Sanchez, E. L.; Zimmermann, J.; Aistrup Rosendahl, L.; Pedersen, T. H. (2021). Bio-Crude Production Improvement during Hydrothermal Liquefaction of Biopulp by Simultaneous Application of Alkali Catalysts and Aqueous Phase Recirculation. Energies, 14 (15), Art.-Nr.: 4492. doi:10.3390/en14154492
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