Publications


2023
Book Chapters
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
PhD Theses
Pandit, L. (2023, May 25). Unravelling structural dynamics in Cu/ZnO-based methanol catalysts for future Power-to-Liquid applications. PhD dissertation. Karlsruher Institut für Technologie (KIT). 
Journal Articles
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
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
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/acb899Full textFull text of the publication as PDF document
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.2c08179Full textFull text of the publication as PDF document
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
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/ijms24108563Full textFull text of the publication as PDF document
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, Art.-Nr.: e202200337. doi:10.1002/zaac.202200337
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-yFull textFull text of the publication as PDF document
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
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.2022.139204Full textFull text of the publication as PDF document
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.202300366Full textFull text of the publication as PDF document
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.202306514Full textFull text of the publication as PDF document
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/catal13030536Full textFull text of the publication as PDF document
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.202212189Full textFull text of the publication as PDF document
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
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.2023.111040Full textFull text of the publication as PDF document
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.3c00352Full textFull text of the publication as PDF document
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
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.202300007Full textFull text of the publication as PDF document
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.3c00620Full textFull text of the publication as PDF document
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.2023.03.016Full textFull text of the publication as PDF document
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
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/S1600577523001613Full textFull text of the publication as PDF document
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
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, 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.2022.140921Full textFull text of the publication as PDF document
Conference Papers
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.258Full textFull text of the publication as PDF document
Reports/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, Ed.), Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000159935Full textFull text of the publication as PDF document
Presentations
Klag, L.; Sheppard, T.; Grunwaldt, J.-D. (2023, March 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, Germany, March 15–17, 2023. 
Lacerda de Oliveira Campos, B.; Ferreira da Costa Junior, E.; Delgado, K. H.; Oliveira Souza da Costa, A.; Pitter, S.; Sauer, J. (2023, June 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, June 18–23, 2023. 
Lacerda de Oliveira Campos, B.; Ferreira da Costa Junior, E.; Herrera Delgado, K.; Oliveira Souza da Costa, A.; Pitter, S.; Sauer, J. (2023, March 17). Development of an artificial neural network to reproduce a microkinetic model for the methanol synthesis. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 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), Kyoto, Japan, September 10–14, 2023. 
Treu, P.; Sarma, B. B.; Saraçi, E. (2023, March 15). Impact of Fe speciation in Fe/MFI on the oxidative cleavage of vicinal diols. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Zhao, D.; Gao, M.; Tian, X.; Doronkin, D.; Han, S.; Rodemerck, U.; Linke, D.; Ye, M.; Jiang, G.; Jiao, H.; Kondratenko, E. (2023, March 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, Germany, March 15–17, 2023. 
Posters
Baumgarten, L.; Grunwaldt, J.-D.; Saraçi, E. (2023, March 16). Operando X-Ray Absorption Spectroscopic Investigations on Ni and Cu Catalysts for CO2-Hydrogenation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Czechowsky, J.; Dolcet, P.; Maliakkal, C.; Gross, S.; Behrens, S.; Kübel, C.; Grunwaldt, J.-D.; Casapu, M. (2023, March 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, Germany, March 15–17, 2023. 
Da Roit, N.; Czechowsky, J.; Neumaier, M.; Wang, D.; Kappes, M.; Casapu, M.; Behrens, S. (2023, March 15). Powder model catalysts based on Pt clusters, Pt and Pd nanoparticles for emission control catalysis. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
De Oliveira, A.; Czechowsky, J.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Wolf, M. (2023, March 15). One-pot synthesis of oxidation catalysts for emission control via solvent deficient precipitation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Elbuga-Ilica, R.; Zimina, A.; Serrer, M.; Saraçi, E.; Grunwaldt, J.-D. (2023, March 15). High pressure and long-term operando studies for production of sustainable fuels & chemicals: Bridging industry and synchrotron. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Kornetzky, K.; Schulte, M.; Maurer, F.; Jung, N.; Chacko, R.; Deutschmann, O.; Grunwaldt, J.-D. (2023, March 15). Towards research data management with an electronic lab notebook in catalysis. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Neukum, D.; Saraci, E.; Krause, B.; Sinigalia, A.; Nilayam, A. R., Lakshmi; Grundwaldt, J.-D. (2023, March 16). Rate enhancing effect of carbon support properties on Pt-catalyzed base-free HMF oxidation. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Schmitt, C.; Czechowsky, J.; Casapu, M.; Behrens, S. (2023, March 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, Germany, March 15–17, 2023. 
Schulte, M.; Sender, V.; Baumgarten, L.; Saraçi, E.; Grunwaldt, J.-D. (2023, March 15). Impact of flame spray pyrolysis parameters on the structure and activity of Cu-based CO2-methanol catalysts. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Sharma, S.; Delrieux, T.; Karpov, D.; Grunwaldt, J.-D.; Sheppard, T. (2023, March 15). Visualising sulphur poisoning in structured catalysts with X-ray nanotomography. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Warmuth, L. (2023, March 15). Green methanol from renewable feeds : Towards scalable catalyst synthesis and improved stability. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
Weber, S.; Diaz, A.; Karpov, D.; Kahnt, M.; Romanenko, Y.; Kotrel, S.; Grunwaldt, J.-D.; Schunk, S.; Sheppard, T. (2023, March 15). Probing Pore Accessibility of Coked Technical Catalysts by Hard X-ray Nanotomography. 56. Jahrestreffen Deutscher Katalytiker (2023), Weimar, Germany, March 15–17, 2023. 
2022
PhD Theses
Journal Articles
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/s41563-022-01376-1Full textFull text of the publication as PDF document
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.202200584Full textFull text of the publication as PDF document
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.24510Full textFull text of the publication as PDF document
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.202100167Full textFull text of the publication as PDF document
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/d2nr02612kFull textFull text of the publication as PDF document
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
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.2022.810343Full textFull text of the publication as PDF document
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/en15134762Full textFull text of the publication as PDF document
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.202200514Full textFull text of the publication as PDF document
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.202200082Full textFull text of the publication as PDF document
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
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.2c00092Full textFull text of the publication as PDF document
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.2022.105792Full textFull text of the publication as PDF document
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.202214048Full textFull text of the publication as PDF document
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.2c03561Full textFull text of the publication as PDF document
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.1c07694Full textFull text of the publication as PDF document
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.2103840119Full textFull text of the publication as PDF document
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/en15072683Full textFull text of the publication as PDF document
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
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.2022.100096Full textFull text of the publication as PDF document
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/pr10081535Full textFull text of the publication as PDF document
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.202109027Full textFull text of the publication as PDF document
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.2021.120695Full textFull text of the publication as PDF document
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/D1SE01270CFull textFull text of the publication as PDF document
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.1c04565Full textFull text of the publication as PDF document
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. 
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.202200153Full textFull text of the publication as PDF document
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/nano12172963Full textFull text of the publication as PDF document
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.2022.107452Full textFull text of the publication as PDF document
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.202200808Full textFull text of the publication as PDF document
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/D2CY00972BFull textFull text of the publication as PDF document
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.2c04736Full textFull text of the publication as PDF document
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
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/s11224-022-02053-4Full textFull text of the publication as PDF document
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/D1RE00499AFull textFull text of the publication as PDF document
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.2021.117145Full textFull text of the publication as PDF document
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/d2cy00572gFull textFull text of the publication as PDF document
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.2c02420Full textFull text of the publication as PDF document
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.202100145Full textFull text of the publication as PDF document
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.202105432Full textFull text of the publication as PDF document
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.202101878Full textFull text of the publication as PDF document
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/d1re00470kFull textFull text of the publication as PDF document
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.2021.08.029Full textFull text of the publication as PDF document
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.202116517Full textFull text of the publication as PDF document
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.202100676Full textFull text of the publication as PDF document
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.1c05778Full textFull text of the publication as PDF document
Conference Papers
Fuchs, C.; Arnold, U.; Sauer, J. (2022). Synthesis of sustainable, free of aromatics fuels by heterogeneously catalyzed oligomerization of renewable C-C olefins. Proceedings of Abstracts 13th International Conference on Air Quality: Science and Application. Ed.: R. Sokhi, 157, University of Hertfordshire. 
Ghosh Chowdhury, A.; Arnold, U.; Sauer, J. (2022). Synthesis of stable zinc oxide based catalysts for carrying out direct dehydrogenation of methanol to obtain (a) anhydrous formaldehyde and (b) highly selective hydrogen as by-product. Proceedings of the DGMK-Conference “The Role of Catalysis for the Energy Transition“, Ludwigshafen, October 5 -7 2022, 186–198, Deutsche Wissenschaftliche Gesellschaft für nachhaltige Energieträger, Mobilität und Kohlenstoffkreisläufe (DGMK). 
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). Full textFull text of the publication as PDF document
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, 3–18, Deutsche Wissenschaftliche Gesellschaft für Erdöl, Erdgas und Kohle e.V. (DGMK). 
Schmitt, C. C.; Nguyen, K.; Schmitt, N.; Moreira, R.; Raffelt, K.; Hornung, U.; Dahmen, N. (2022). Platform chemicals from hydrothermal liquefaction of sugarcane bagasse and sugarcane straw. European Biomass Conference and Exhibition Proceedings, 30th European Biomass Conference and Exhibition, EUBCE 2022, Virtual, Online, 9th May 2022 - 12th May 2022, 951–953, ETA-Florence Renewable Energies. 
Wörner, M.; Hornung, U.; Dahmen, N. (2022). Hydrothermal liquefaction of black liquor. European Biomass Conference and Exhibition Proceedings, 30th European Biomass Conference and Exhibition, EUBCE 2022, Virtual, Online, 9th May 2022 - 12th May 2022, 867–874, ETA-Florence Renewable Energies. 
Reports/Preprints
Presentations
Arnold, U.; Drexler, M.; Fuchs, C.; Niethammer, B.; Sauer, J. (2022, December 19). Alternative liquid fuels from renewable resources: State of the art and perspectives. 19th International Conference on Renewable Mobility "Fuels of the Future" (2022), Online, January 24–28, 2022. 
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. Full textFull text of the publication as PDF document
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. Full textFull text of the publication as PDF document
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. Full textFull text of the publication as PDF document
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. 
Drexler, M.; Zaghini Francesconi, V.; Arnold, U.; Sauer, J. (2022). Catalytic transacetalization reactions for the modification of oxymethylene ether (OME) fuels. 28th Biennial ORCS Conference (2022), Jacksonville, FL, USA, October 16–20, 2022. 
Fuchs, C.; Arnold, U.; Sauer, J. (2022). Effect of nickel loading on fuel production via heterogeneously catalyzed oligomerization of methanol-based olefins. (Bio-)Process Engineering - a Key to Sustainability (2022), Aachen, Germany, September 12–15, 2022. 
Fuchs, C.; Arnold, U.; Sauer, J. (2022). Heterogeneously catalyzed oligomerization of renewable olefins as a pathway for the production of sustainable fuels. 10th International Conference Fuel Science - From Production to Propulsion (2022), Aachen, Germany, May 10–12, 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. 
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. 
Kuhn, C.; Rohlfs, P.; Düll, A.; Tischer, S.; Börnhorst, M.; Deutschmann, O. (2022, July 20). Iron as recyclable metal fuel: Reaction kinetic analysis of iron oxide reduction with hydrogen. Jahrestreffen Reaktionstechnik (2022), Würzburg, Germany, July 18–20, 2022. 
Lacerda de Oliveira Campos, B.; Herfet, M.; Rodrigues Niquini, G.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2022, June 6). Multi-Scale Modeling of Methanol and Direct Dimethyl Ether Synthesis from CO2-rich Syngas. 19th Nordic Symposium on Catalysis (NSC 2022), Espoo, Finland, June 6–8, 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. 
Perret, L.; Boukis, N.; Sauer, J. (2022, August). Biocatalytic COx-conversion to elementary building blocks. 26th International Congress of Chemical and Process Engineering (CHISA 2022), Prague, Czechia, August 21–25, 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. 
Vergara, T.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Jiménes, R.; Karolevic, A. (2022, September 19). Estudio cinético de la síntesis de metanol sobre catalizadores de cobre promovidos por óxido de cerio. XXVIII Congresso Ibero-Americano de Catálise (2022), Natal, Brazil, September 18–23, 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. 
Wörner, M. (2022, December 19). An energy balance model for the maximum spread diameter upon droplet impact on surfaces of arbitrary wettability. National Conference on Material Physics and Fluids (CPMF 2022), Oran, Algeria, December 18–19, 2022. Full textFull text of the publication as PDF document
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. Full textFull text of the publication as PDF document