Selected Publications
2024
Journal Articles
Perret, L.; Boukis, N.; Sauer, J. (2024). Synthesis gas fermentation at high cell density: How pH and hydrogen partial pressure affect productivity and product ratio in continuous fermentation. Bioresource Technology, 391 (Part A), Art.-Nr.: 129894. doi:10.1016/j.biortech.2023.129894
Zhao, D.; Kondratenko, V. A.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Kondratenko, E. V. (2024). Effect of supports on the kind of in-situ formed ZnOₓ species and its consequence for non-oxidative propane dehydrogenation. Catalysis Today, 428, Art.-Nr.: 114444. doi:10.1016/j.cattod.2023.114444
Lott, P.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2024). A review on exhaust gas after-treatment of lean-burn natural gas engines – From fundamentals to application. Applied Catalysis B: Environmental, 340, Art.Nr.: 123241. doi:10.1016/j.apcatb.2023.123241
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
Journal Articles
Vergara, T.; Gómez, D.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Jiménez, R.; Karelovic, A. (2023). Disclosing the Reaction Mechanism of CO 2 Hydrogenation to Methanol over CuCeO x /TiO 2 : A Combined Kinetic, Spectroscopic, and Isotopic Study. ACS Catalysis, 13 (22), 14699–14715. doi:10.1021/acscatal.3c04243
Wan, S.; Häber, T.; Lott, P.; Suntz, R.; Deutschmann, O. (2023). Experimental investigation of NO reduction by H2 on Pd using planar laser-induced fluorescence. Applications in Energy and Combustion Science, 100229. doi:10.1016/j.jaecs.2023.100229
Phan Dang, C.-T.; Tam, N. M.; Huynh, T.-N.; Trung, N. T. (2023). Revisiting conventional noncovalent interactions towards a complete understanding: from tetrel to pnicogen, chalcogen, and halogen bond. RSC Advances, 13 (45), 31507–31517. doi:10.1039/d3ra06078k
Huber, P.; Pleßow, P. N. (2023). The role of decarboxylation reactions during the initiation of the methanol-to-olefins process. Journal of Catalysis, 428, Art.-Nr.: 115134. doi:10.1016/j.jcat.2023.115134
Scholz, B.; Oshchepkov, A. S.; Papaianina, O.; Ruppenstein, C.; Akhmetov, V. A.; Sharapa, D. I.; Amsharov, K. Y.; Pérez-Ojeda, M. E. (2023). An Indacenopicene‐based Buckybowl Catcher for Recognition of Fullerenes. Chemistry – A European Journal, Art.-Nr.: e202302778. doi:10.1002/chem.202302778
Ramanathan, E. S.; Chowdhury, C. (2023). Structural and Electronic Properties of Two‐Dimensional Materials: A Machine‐Learning‐Guided Prediction. ChemPhysChem, 24 (21), e202300308. doi:10.1002/cphc.202300308
Ghude, S.; Chowdhury, C. (2023). Exploring Hydrogen Storage Capacity in Metal‐Organic Frameworks: A Bayesian Optimization Approach. Chemistry – A European Journal. doi:10.1002/chem.202301840
Semmel, M.; Kerschbaum, M.; Steinbach, B.; Sauer, J.; Salem, O. (2023). Optimized design and techno-economic analysis of novel DME production processes. Reaction Chemistry & Engineering, 8 (11), 2826–2840. doi:10.1039/d3re00333g
Eichner, F.; Sauer, J.; Bender, M.; Behrens, S. (2023). The titania-catalyzed oxidative dehydrogenation of methanol to formaldehyde. Applied Catalysis A: General, 663, Art.-Nr.: 119305. doi:10.1016/j.apcata.2023.119305
Baehr, C.; Acar, R.; Hamrita, C.; Raffelt, K.; Dahmen, N. (2023). CO Solubility in Fast Pyrolysis Bio-oil. Industrial & Engineering Chemistry Research, 62 (38), 15378–15385. doi:10.1021/acs.iecr.3c02070
Campos Fraga, M. M.; Vogt, J.; Lacerda de Oliveira Campos, B.; Schmitt, C. C.; Raffelt, K.; Dahmen, N. (2023). Investigation of NbO and Its Polymorphs as Catalyst Supports for Pyrolysis Oil Upgrading through Hydrodeoxygenation. Energy & Fuels, 37 (14), 10474–10492. doi:10.1021/acs.energyfuels.3c01152
Klag, L.; Gaur, A.; Stehle, M.; Weber, S.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). Role of Iron and Cobalt in 4-Component Bi–Mo–Co–Fe–O Catalysts for Selective Isobutene Oxidation Using Complementary Operando Techniques. ACS Catalysis, 13, 14241–14256. doi:10.1021/acscatal.3c03433
Mazzariol, C.; Tajoli, F.; Sedykh, A. E.; Dolcet, P.; Grunwaldt, J.-D.; Müller-Buschbaum, K.; Gross, S. (2023). Effective Space Confinement by Inverse Miniemulsion for the Controlled Synthesis of Undoped and Eu -Doped Calcium Molybdate Nanophosphors: A Systematic Comparison with Batch Synthesis. ACS Applied Nano Materials, 6 (17), 15510–15520. doi:10.1021/acsanm.3c02136
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Energetic Assessment of SCWG Experiments with Reed Canary Grass and Ethanol Solution on Laboratory and Pilot Scale. Energies, 16 (19), Article no: 6848. doi:10.3390/en16196848
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
Pola, L.; Collado, S.; Wörner, M.; Hornung, U.; Díaz, M. (2023). Eutectic solvents for the valorisation of the aqueous phase from hydrothermally liquefied black liquor. Journal of Environmental Chemical Engineering, 11 (5), Art.-Nr.: 111040. doi:10.1016/j.jece.2023.111040
Huang, X.; Eggart, D.; Qin, G.; Sarma, B. B.; Gaur, A.; Yang, J.; Pan, Y.; Li, M.; Hao, J.; Yu, H.; Zimina, A.; Guo, X.; Xiao, J.; Grunwaldt, J.-D.; Pan, X.; Bao, X. (2023). Methyl radical chemistry in non-oxidative methane activation over metal single sites. Nature Communications, 14, Article no: 5716. doi:10.1038/s41467-023-41192-y
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
Pola, L.; Collado, S.; Wörner, M.; Hornung, U.; Díaz, M. (2023). Valorisation of the residual aqueous phase from hydrothermally liquefied black liquor by persulphate-based advanced oxidation. Chemosphere, 339, Art.-Nr.: 139737. doi:10.1016/j.chemosphere.2023.139737
Kreitz, B.; Lott, P.; Studt, F.; Medford, A. J. J.; Deutschmann, O.; Goldsmith, C. F. (2023). Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties. Angewandte Chemie - International Edition, Art.-Nr.: e202306514. doi:10.1002/anie.202306514
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
Perret, L.; Boukis, N.; Sauer, J. (2023). Influence of Increased Cell Densities on Product Ratio and Productivity in Syngas Fermentation. Industrial & Engineering Chemistry Research, 62 (35), 13799–13810. doi:10.1021/acs.iecr.3c01911
Zimmermann, J.; Raffelt, K.; Dahmen, N. (2023). Suppressing the formation of N-heteroaromatics during hydrothermal liquefaction of proteinaceous model feedstock. Biomass Conversion and Biorefinery. doi:10.1007/s13399-023-04553-7
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
Dutzi, J.; Vadarlis, A. A.; Boukis, N.; Sauer, J. (2023). Comparison of Experimental Results with Thermodynamic Equilibrium Simulations of Supercritical Water Gasification of Concentrated Ethanol Solutions with Focus on Water Splitting. Industrial & Engineering Chemistry Research, 62 (32), 12501–12512. doi:10.1021/acs.iecr.3c01595
Sheikh, K. A.; Zevaco, T. A.; Jelic, J.; Studt, F.; Bender, M. (2023). Efficient noble metal promoted bimetallic cobalt catalysts in the selective synthesis of acetaldehyde dimethyl acetal. RSC Advances, 13 (33), 22698–22709. doi:10.1039/D3RA02784H
Vadarlis, A. A.; Angeli, S. D.; Lemonidou, A. A.; Boukis, N.; Sauer, J. (2023). Catalytic Biomass Gasification in Supercritical Water and Product Gas Upgrading. ChemBioEng Reviews, 10 (4), 370–398. doi:10.1002/cben.202300007
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
Wang, Y.; Qin, S.; Denisov, N.; Kim, H.; Bad’ura, Z.; Sarma, B. B.; Schmuki, P. (2023). Reactive Deposition Versus Strong Electrostatic Adsorption (SEA): A Key to Highly Active Single Atom Co‐Catalysts in Photocatalytic H Generation. Advanced Materials, Art.-Nr.: 2211814. doi:10.1002/adma.202211814
Kant, P.; Liang, S.; Rubin, M.; Ozin, G. A.; Dittmeyer, R. (2023). Low-cost photoreactors for highly photon/energy-efficient solar-driven synthesis. Joule, 7 (6), 1347 – 1362. doi:10.1016/j.joule.2023.05.006
Freund, H.; Sauer, J.; Wachsen, O. (2023). „Digitalisierung der Reaktionstechnik“: ein Themenfeld mit vielen Facetten!. Chemie Ingenieur Technik, 95 (5), 619. doi:10.1002/cite.202370502
Zimmermann, R. T.; Weber, S.; Bremer, J.; Idakiev, V.; Pashminehazar, R.; Sheppard, T. L.; Mörl, L.; Sundmacher, K. (2023). Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal, 457, Art.-Nr.: 140921. doi:10.1016/j.cej.2022.140921
Kalinin, M. A.; Kriebel, M.; Oshchepkov, A. S.; Sharapa, D. I. (2023). Graphocrown—A Novel, Two-Dimensional Oxocarbon: A Theoretical Study. Crystals, 13 (6), Art.-Nr.: 909. doi:10.3390/cryst13060909
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
Fuchs, C.; Arnold, U.; Sauer, J. (2023). (Co‐)Oligomerization of Olefins to Hydrocarbon Fuels: Influence of Feed Composition and Pressure. Chemie Ingenieur Technik, 95 (5), 651–657. doi:10.1002/cite.202200209
Huber, P.; Plessow, P. N. (2023). A computational investigation of the decomposition of acetic acid in H-SSZ-13 and its role in the initiation of the MTO process. Catalysis Science & Technology, 13 (6), 1905–1917. doi:10.1039/d2cy01779b
Semmel, M.; Bogatykh, I.; Steinbach, B.; Sauer, J.; Repke, J.-U.; Salem, O. (2023). Demonstration and experimental model validation of the DME synthesis by reactive distillation in a pilot-scale pressure column. Reaction Chemistry & Engineering. doi:10.1039/d3re00200d
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
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Kumar, N.; Eränen, K.; Wärnå, J.; Lassfolk, R.; Simakova, I. L.; Prosvirin, I. P.; Peurla, M.; Lindén, J. K. M.; Huhtinen, H.; Paturi, P.; Doronkin, D. E.; Murzin, D. Y. (2023). Interactions between Iron and Nickel in Fe–Ni Nanoparticles on Y Zeolite for Co-Processing of Fossil Feedstock with Lignin-Derived Isoeugenol. ACS Applied Nano Materials, 6 (12), 10064–10077. doi:10.1021/acsanm.3c00620
Esmaeilpour, M.; Bügel, P.; Fink, K.; Studt, F.; Wenzel, W.; Kozlowska, M. (2023). Multiscale Model of CVD Growth of Graphene on Cu(111) Surface. International Journal of Molecular Sciences, 24 (10), Art.-Nr.: 8563. doi:10.3390/ijms24108563
Wörner, M. (2023). Maximum spreading of an impacting drop. International Journal of Multiphase Flow, 167, Artkl.Nr.: 104528. doi:10.1016/j.ijmultiphaseflow.2023.104528
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
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
Keller, K.; Lott, P.; Tischer, S.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Methane Oxidation over PdO: Towards a Better Understanding of the Influence of the Support Material. ChemCatChem, 15 (11), Art.-Nr.: e202300366. doi:10.1002/cctc.202300366
Wollak, B.; Espinoza, D.; Dippel, A.-C.; Sturm, M.; Vrljic, F.; Gutowski, O.; Nielsen, I. G.; Sheppard, T. L.; Korup, O.; Horn, R. (2023). Catalytic reactor for operando spatially resolved structure–activity profiling using high-energy X-ray diffraction. Journal of Synchrotron Radiation, 30 (Pt 3), 571–581. doi:10.1107/S1600577523001613
Chacko, R.; Keller, K.; Tischer, S.; Shirsath, A. B.; Lott, P.; Angeli, S.; Deutschmann, O. (2023). Automating the Optimization of Catalytic Reaction Mechanism Parameters Using Basin-Hopping: A Proof of Concept. The Journal of Physical Chemistry C, 127 (16), 7628–7639. doi:10.1021/acs.jpcc.2c08179
Potter, M. E.; Amsler, J.; Spiske, L.; Plessow, P. N.; Asare, T.; Carravetta, M.; Raja, R.; Cox, P. A.; Studt, F.; Armstrong, L.-M. (2023). Combining Theoretical and Experimental Methods to Probe Confinement within Microporous Solid Acid Catalysts for Alcohol Dehydration. ACS Catalysis, 13 (9), 5955–5968. doi:10.1021/acscatal.3c00352
Nazari, P.; Bäuerle, R.; Bäuerle, R.; Zimmermann, J.; Melzer, C.; Schwab, C.; Smith, A.; Kowalsky, W.; Aghassi-Hagmann, J.; Hernandez-Sosa, G.; Lemmer, U. (2023). Piezoresistive Free‐standing Microfiber Strain Sensor for High‐resolution Battery Thickness Monitoring. Advanced Materials, 35 (21), Art.-Nr.: 2212189. doi:10.1002/adma.202212189
Engl, T.; Langer, M.; Freund, H.; Rubin, M.; Dittmeyer, R. (2023). Tap Reactor for Temporally and Spatially Resolved Analysis of the CO Methanation Reaction. Chemie Ingenieur Technik, 95 (5), 658–667. doi:10.1002/cite.202200204
Eichner, F.; Turan, E.; Sauer, J.; Bender, M.; Behrens, S. (2023). Supported silver and copper catalysts in the oxidative dehydrogenation of methanol to formaldehyde: a comparative study under industrially relevant conditions. Catalysis Science & Technology. doi:10.1039/D2CY01405J
Hakimioun, A. H.; Vandegehuchte, B. D.; Curulla-Ferre, D.; Kaźmierczak, K.; Plessow, P. N.; Studt, F. (2023). Metal–Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide. ACS Omega. doi:10.1021/acsomega.3c00502
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Simakova, I. L.; Kumar, N.; Eränen, K.; Tirri, T.; Lassfolk, R.; Peurla, M.; Doronkin, D. E.; Murzin, D. Y. (2023). Co-processing of fossil feedstock with lignin-derived model compound isoeugenol over Fe-Ni/H-Y-5.1 catalysts. Journal of Catalysis, 421, 101–116. doi:10.1016/j.jcat.2023.03.016
Marchuk, V.; Huang, X.; Grunwaldt, J.-D.; Doronkin, D. E. (2023). Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts. Catalysis Science & Technology. doi:10.1039/D2CY02095E
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
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Process Effluent Recycling in the Supercritical Water Gasification of Dry Biomass. Processes, 11 (3), Art.-Nr.: 797. doi:10.3390/pr11030797
Machoke, A. G. F.; Arias, A. M.; Baracchini, G.; Rubin, M.; Baser, H.; Weissenberger, T.; Dittmeyer, R.; Weber, A.; Hartmann, M.; Schwieger, W. (2023). MFI Type Zeolite Aggregates with Nanosized Particles via a Combination of Spray Drying and Steam-Assisted Crystallization (SAC) Techniques. Catalysts, 13 (3), Art.-Nr.: 536. doi:10.3390/catal13030536
Sheikh, K. A.; Drexler, R.; Zevaco, T. A.; Sauer, J.; Bender, M. (2023). Hydrogenation of Carbon Monoxide in the Liquid Phase: Influence of the Synthetic Methods on Characteristics and Activity of Hydrogenation Catalysts. Catalysts, 13 (3), 482. doi:10.3390/catal13030482
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
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
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
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
Borgmann, L. M.; Johnsen, S.; Santos de Oliveira, C.; Martins de Souza e Silva, J.; Li, J.; Kirchlechner, C.; Gomard, G.; Wiegand, G.; Hölscher, H. (2023). Porous polymeric microparticles foamed with supercritical CO₂ as scattering white pigments. Bioinspiration & Biomimetics, 18 (2), Art.-Nr. 026011. doi:10.1088/1748-3190/acb899
Niethammer, B.; Arnold, U.; Sauer, J. (2023). Suppressing the aromatic cycle of the dimethyl ether to hydrocarbons reaction on zeolites. Applied Catalysis A: General, 651, Art.-Nr.: 119021. doi:10.1016/j.apcata.2023.119021
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
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
Plessow, P. N.; Studt, F. (2023). Cooperative Effects of Active Sites in the MTO Process: A Computational Study of the Aromatic Cycle in H-SSZ-13. ACS Catalysis, 13 (1), 624–632. doi:10.1021/acscatal.2c04694
Evers, J.; Klapötke, T. M.; Beck, W.; Völkl, M. B. R.; Oehlinger, G.; Köppe, R.; Zimina, A.; Wolf, S. (2023). PdCl(NO) – an iconic compound with corrugated PdCl octagons built up by PdCl(NO) moieties. Zeitschrift für anorganische und allgemeine Chemie, 649 (6-7). doi:10.1002/zaac.202200337
Klag, L.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). An Advanced Characterization Toolbox for Selective Olefin Oxidation Catalysts. ChemCatChem, 15 (3), Art.-Nr.: e202201276. doi:10.1002/cctc.202201276
Bodziony, F.; Wörner, M.; Marschall, H. (2023). The stressful way of droplets along single fibre strands : A computational analysis. Physics of Fluids, 35 (1), Art.-Nr.: 012110. doi:10.1063/5.0131032
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
Fan, Y.; Meyer, L.; Gong, M.; Krause, B.; Hornung, U.; Dahmen, N. (2023). Understanding the fate of nitrogen during catalytic hydrothermal liquefaction of sewage sludge. Fuel, 339, Art.-Nr.: 126948. doi:10.1016/j.fuel.2022.126948
Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D. (2023). Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chemical Reviews, 123 (1), 379–444. doi:10.1021/acs.chemrev.2c00495
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
Kant, P.; Trinkies, L. L.; Gensior, N.; Fischer, D.; Rubin, M.; Alan Ozin, G.; Dittmeyer, R. (2023). Isophotonic reactor for the precise determination of quantum yields in gas, liquid, and multi-phase photoreactions. Chemical Engineering Journal, 452 (Part 2), Art.-Nr.: 139204. doi:10.1016/j.cej.2022.139204
Jung, D.; Duman, G.; Zimmermann, M.; Kruse, A.; Yanik, J. (2023). Hydrothermal carbonization of fructose—effect of salts and reactor stirring on the growth and formation of carbon spheres. Biomass Conversion and Biorefinery, 13, 6281–6297. doi:10.1007/s13399-021-01782-6
2022
Journal Articles
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
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
Fuchs, C.; Arnold, U.; Sauer, J. (2022). Effect of nickel loading on fuel production via heterogeneously catalyzed oligomerization of methanol‐based olefins. Chemie Ingenieur Technik, 94 (9), 1215–1215. doi:10.1002/cite.202255176
Virt, M.; Arnold, U. (2022). Effects of Oxymethylene Ether in a Commercial Diesel Engine. Cognitive Sustainability, 1 (3). doi:10.55343/cogsust.20
Carriel Schmitt, C.; Rapp, M.; Voigt, A.; De Carvalho, M. dos S. (2022). Selective Detection of Aromatic Compounds with a Re-Designed Surface Acoustic Wave Sensor System Using a Short Packed Column. Coatings, 12 (11), Art.-Nr.: 1666. doi:10.3390/coatings12111666
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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
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
Wild, S.; Lacerda de Oliveira Campos, B.; Zevaco, T. A.; Guse, D.; Kind, M.; Pitter, S.; Herrera Delgado, K.; Sauer, J. (2022). Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO-rich syngas. Reaction chemistry & engineering, 7 (4), 943–956. doi:10.1039/d1re00470k
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
Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kahnt, M.; Jeromin, A.; Kulkarni, S.; Keller, T. F.; Gläser, R.; Sheppard, T. L. (2022). Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X‐Ray Ptychography. Advanced science, 9 (8), 2105432. doi:10.1002/advs.202105432
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
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
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
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
Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E. (2022). Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor. Reaction chemistry & engineering, 7 (3), 730–740. doi:10.1039/D1RE00499A
Mantei, F.; Ali, R. E.; Baensch, C.; Voelker, S.; Haltenort, P.; Burger, J.; Dietrich, R.-U.; Assen, N. von der; Schaadt, A.; Sauer, J.; Salem, O. (2022). Techno-economic assessment and carbon footprint of processes for the large-scale production of oxymethylene dimethyl ethers from carbon dioxide and hydrogen. Sustainable energy & fuels, 6 (3), 528–549. doi:10.1039/D1SE01270C
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
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
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
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
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
Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y. (2022). Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol. Applied catalysis / B, 300, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695
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
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
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
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.
2021
Book Chapters
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
Dolcet, P.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D. (2021). Tracking the evolution of Pt single sites on CeO2. ESRF Highlights 2020, 123–125.
Journal Articles
Yang, C.; Cao, Y.; Plessow, P. N.; Wang, J.; Nefedov, A.; Heissler, S.; Studt, F.; Wang, Y.; Idriss, H.; Mayerhöfer, T. G.; Wöll, C. (2021). NO Adsorption and Photochemistry on Ceria Surfaces. Journal of Physical Chemistry C, 126 (4), 2253–2263. doi:10.1021/acs.jpcc.1c10181
Sarma, B. B.; Agostini, G.; Farpón, M. G.; Marini, C.; Pfänder, N.; Prieto, G. (2021). Bottom-up assembly of bimetallic nanocluster catalysts from oxide-supported single-atom precursors. Journal of materials chemistry / A, 9 (13), 8401–8415. doi:10.1039/d1ta00421b
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
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2021). Development of Consistent Kinetic Models Derived from a Microkinetic Model of the Methanol Synthesis. Industrial & engineering chemistry research, 60 (42), 15074–15086. doi:10.1021/acs.iecr.1c02952
Wang, X.; Funke, A.; Cheng, Y.-J.; Song, F.; Yin, S.; Liang, S.; Zuo, X.; Gao, J.; Müller-Buschbaum, P.; Xia, Y. (2021). Continuous fast pyrolysis synthesis of TiO₂/C nanohybrid lithium-ion battery anode. Nano select, 2 (9), 1770–1778. doi:10.1002/nano.202100015
Schmitt, C. C.; Fonseca, F. G.; Fraga, M. M. C.; Wisniewski, J., Alberto; Karp, S.; José, Á. H. M.; Rodrigues, R. C. L. B. L.; Moreira, R.; Hirayama, D. E.; Raffelt, K.; Dahmen, N. (2021). Thermochemical and catalytic conversion technologies for the development of Brazilian biomass utilization. Catalysts, 11 (12), 1549. doi:10.3390/catal11121549
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
Samkhaniani, N.; Marschall, H.; Stroh, A.; Frohnapfel, B.; Wörner, M. (2021). Numerical simulation of drop impingement and bouncing on a heated hydrophobic surface. Journal of Physics: Conference Series, 2116 (1), Art.-Nr.: 012073. doi:10.1088/1742-6596/2116/1/012073
Lacková, V.; Schroer, M. A.; Honecker, D.; Hähsler, M.; Vargová, H.; Zakutanská, K.; Behrens, S.; Kováč, J.; Svergun, D. I.; Kopčanský, P.; Tomašovičová, N. (2021). Clustering in ferronematics : The effect of magnetic collective ordering. iScience, 24 (12), Article no: 103493. doi:10.1016/j.isci.2021.103493
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
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
Zhao, D.; Tian, X.; Doronkin, D. E.; Han, S.; Kondratenko, V. A.; Grunwaldt, J.-D.; Perechodjuk, A.; Vuong, T. H.; Rabeah, J.; Eckelt, R.; Rodemerck, U.; Linke, D.; Jiang, G.; Jiao, H.; Kondratenko, E. V. (2021). In situ formation of ZnOₓ species for efficient propane dehydrogenation. Nature <London>, 599, 234–238. doi:10.1038/s41586-021-03923-3
Straß-Eifert, A.; Sheppard, T. L.; Becker, H.; Friedland, J.; Zimina, A.; Grunwaldt, J.-D.; Güttel, R. (2021). Cobalt-based Nanoreactors in Combined Fischer-Tropsch Synthesis and Hydroprocessing: Effects on Methane and CO Selectivity. ChemCatChem, 13 (24), 5216–5227. doi:10.1002/cctc.202101053
Weber, S.; Batey, D.; Cipiccia, S.; Stehle, M.; Abel, K. L.; Gläser, R.; Sheppard, T. L. (2021). Harte Röntgen‐Nanotomographie zur 3D‐Analyse der Verkokung in Nickel‐basierten Katalysatoren. Angewandte Chemie, 133 (40), 21940–21945. doi:10.1002/ange.202106380
Smith, A. T.; Plessow, P. N.; Studt, F. (2021). Effect of Aluminum Siting in H-ZSM-5 on Reaction Barriers. Journal of Physical Chemistry C, 125 (37), 20373–20379. doi:10.1021/acs.jpcc.1c06670
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
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
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
Smith, A. T.; Plessow, P. N.; Studt, F. (2021). Trends in the Reactivity of Proximate Aluminum Sites in H-SSZ-13. Journal of Physical Chemistry C, 125 (30), 16508–16515. doi:10.1021/acs.jpcc.1c03509
Warmuth, L.; Nails, G.; Casapu, M.; Wang, S.; Behrens, S.; Grunwaldt, J.-D.; Feldmann, C. (2021). Catalytic co oxidation and HO direct synthesis over pd and pt-impregnated titania nanotubes. Catalysts, 11 (8), 949. doi:10.3390/catal11080949
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
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
Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Wild, S.; Studt, F.; Pitter, S.; Sauer, J. (2021). Correction: Surface reaction kinetics of the methanol synthesis and the water gas shift reaction on Cu/ZnO/AlO. Reaction chemistry & engineering, 6 (8), 1483–1486. doi:10.1039/d1re90031e
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
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
Uzunidis, G.; Schade, O.; Schild, D.; Grunwaldt, J.-D.; Behrens, S. (2021). Design of bimetallic Au/Cu nanoparticles in ionic liquids: Synthesis and catalytic properties in 5‐(hydroxymethyl)furfural oxidation. ChemNanoMat, 7 (10), 1108–1116. doi:10.1002/cnma.202100258
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