Publications
2024
PhD Theses
Eichner, F. (2024, April 29). Untersuchungen zur oxidativen Dehydrierung von Methanol zu Formaldehyd - Betrachtungen auf Katalysator- und Prozessebene. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000170290
Gierse, M. (2024, August 22). Development of a Power to Liquids Process for the Production of Dimethyl Ether by Dehydration of Methanol in a Reactive Distillation Column. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000173473
Huber, P. (2024, March 11). Dehydration and Decarboxylation Reactions in Brønsted and Lewis Acidic Zeolites. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000167714
Robazza, A. (2024, August 12). Hybrid thermochemical-biological processes to enhance the energy recovery from waste. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000173292
Sheikh, K. A. (2024, April 19). Heterogen katalysierte Insertion von Kohlenstoffmonoxid in sauerstoffhaltige organische Verbindungen. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000165194
Spiske, L. F. (2024, March 19). Theoretical investigation of n-butane isomerization in metal-substituted aluminosilicates. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000168927
Trinkies, L. L. G. (2024, July 17). Untersuchungen zur Direktsynthese von Wasserstoffperoxid in mikrostrukturierten Membranreaktoren. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000169011
Wild, S. (2024, May 27). Untersuchung der Kinetik der einstufigen DME-Synthese unter variablem CO/CO2 Synthesegas für Scale-Up und Prozess-Optimierung. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000170570
Zimmermann, J. V. (2024, July 1). Optimization of the biocrude nitrogen content during the hydrothermal fractionation of municipal sewage sludge including pre- and post-treatments. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000172120
Journal Articles
Aschenbrenner, E.; Funke, A. (2024). Numerical Validation of a Screw Conveyor Design Method. Energy and Fuels, 38 (14), 13019 – 13028. doi:10.1021/acs.energyfuels.4c00189
Baehr, C.; Meyer Muñoz, T.; Raffelt, K.; Dahmen, N. (2024). Viscosity Reduction of Fast Pyrolysis Bio-Oil by Using CO as an Additive. Energy & Fuels, 38 (7), 6012–6019. doi:10.1021/acs.energyfuels.3c04201
Borchers, M.; Förster, J.; Thrän, D.; Beck, S.; Thoni, T.; Korte, K.; Gawel, E.; Markus, T.; Schaller, R.; Rhoden, I.; Chi, Y.; Dahmen, N.; Dittmeyer, R.; Dolch, T.; Dold, C.; Herbst, M.; Heß, D.; Kalhori, A.; Koop-Jakobsen, K.; Li, Z.; Oschlies, A.; Reusch, T. B. H.; Sachs, T.; Schmidt-Hattenberger, C.; Stevenson, A.; Wu, J.; Yeates, C.; Mengis, N. (2024). A Comprehensive Assessment of Carbon Dioxide Removal Options for Germany. Earth’s Future, 12 (5), e2023EF003986. doi:10.1029/2023EF003986
Braun, L.; Spielmann, J.; Doronkin, D. E.; Kuhn, C.; Maliugin, A.; Sharapa, D. I.; Huck, I.; Bao, J.; Tischer, S.; Studt, F.; Deutschmann, O.; Kramm, U. I.; Grunwaldt, J.-D. (2024). Following the Structural Changes of Iron Oxides during Reduction under Transient Conditions. ChemSusChem, Art.-Nr.: e202401045. doi:10.1002/cssc.202401045
Canabarro, N. I.; Yeadon, D. J.; Wörner, M.; Hornung, U.; Vogel, F.; Baudouin, D. (2024). Development of strategies for continuous desalination of weak black liquor based on phase-behaviour analysis. The Journal of Supercritical Fluids, 209, Art.-Nr.: 106230. doi:10.1016/j.supflu.2024.106230
Chacko, R.; Goßler, H.; Angeli, S.; Deutschmann, O. (2024). Interconnected Digital Solutions to Accelerate Modeling of the Reaction Kinetics in Catalysis. ChemCatChem, Art.-Nr.: e202301355. doi:10.1002/cctc.202301355
Chawla, J.; Schardt, S.; Lott, P.; Angeli, S.; Tischer, S.; Maier, L.; Deutschmann, O. (2024). Detailed kinetic modeling of catalytic oxidative coupling of methane. Chemical Engineering Journal, 482, Art-Nr.: 148719. doi:10.1016/j.cej.2024.148719
Chen, S.; Jelic, J.; Rein, D.; Najafishirtari, S.; Schmidt, F.-P.; Girgsdies, F.; Kang, L.; Wandzilak, A.; Rabe, A.; Doronkin, D. E.; Wang, J.; Friedel Ortega, K.; DeBeer, S.; Grunwaldt, J.-D.; Schlögl, R.; Lunkenbein, T.; Studt, F.; Behrens, M. (2024). Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications, 15 (1), Art.-Nr.: 871. doi:10.1038/s41467-023-44661-6
Chen, S.; Pleßow, P. N.; Yu, Z.; Sauter, E.; Caulfield, L.; Nefedov, A.; Studt, F.; Wang, Y.; Wöll, C. (2024). Structure and Chemical Reactivity of Y‐Stabilized ZrO 2 Surfaces: Importance for the Water‐Gas Shift Reaction. Angewandte Chemie - International Edition, 63 (27), e202404775. doi:10.1002/anie.202404775
Chowdhury, A. G.; Arnold, U.; Garbev, K.; Bender, M.; Sauer, J. (2024). Direct dehydrogenation of methanol to formaldehyde over ZnO–SiO -based catalysts. Catalysis Science and Technology. doi:10.1039/D4CY00541D
Chowdhury, C. (2024). Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials. ChemPhysChem, 25 (16), Art.-Nr.: e202300850. doi:10.1002/cphc.202300850
Das, S.; Kahnt, M.; van Valen, Y.; Bergh, T.; Blomberg, S.; Lyubomirskiy, M.; Schroer, C. G.; Venvik, H. J.; Sheppard, T. L. (2024). Restructuring of Ag catalysts for methanol to formaldehyde conversion studied using in situ X-ray ptychography and electron microscopy. Catalysis Science & Technology. doi:10.1039/D4CY00770K
Das, S.; Stuckelberger, M. E.; Pottbacker, J.; Jakobtorweihen, S.; Schroer, C. G.; Horn, R.; Sheppard, T. L. (2024). Quantitative Chemical Mapping of Pt/Rh Gauze Catalysts for Ammonia Oxidation using Resonant X-ray Tomography. The Journal of Physical Chemistry C, 128 (12), 5053–5063. doi:10.1021/acs.jpcc.4c00041
Delrieux, T.; Sharma, S.; Maurer, F.; Dolcet, P.; Lausch, M.; Zimina, A.; Cárdenas, C.; Lott, P.; Casapu, M.; Sheppard, T. L.; Grunwaldt, J.-D. (2024). A laboratory scale fast characterizing feedback loop for optimizing technical emission control catalysts. Reaction Chemistry & Engineering. doi:10.1039/D4RE00168K
Dolcet, P.; Grunwaldt, J.-D.; Hövelmann, S.; Amelung, L.; Schneidewind, A. (2024). DAta from PHoton and Neutron Experiments – DAPHNE4NFDI – Annual Meeting 2023. Synchrotron Radiation News, 1–3. doi:10.1080/08940886.2023.2277655
Dutzi, J.; Boukis, N.; Sauer, J. (2024). Investigating Salt Precipitation in Continuous Supercritical Water Gasification of Biomass. Processes, 12 (5), Art.-Nr.: 935. doi:10.3390/pr12050935
Dutzi, J.; Boukis, N.; Sauer, J. (2024). Supercritical water gasification of heavy metal contaminated plants with focus on separation of heavy metal contaminants. Biomass and Bioenergy, 182, Article no: 107059. doi:10.1016/j.biombioe.2024.107059
Dutzi, J.; Stoll, I. K.; Boukis, N.; Sauer, J. (2024). Screening of ten different plants in the process of supercritical water gasification. Sustainable Chemistry for the Environment, 5, Art.-Nr.: 100062. doi:10.1016/j.scenv.2024.100062
Eldridge, T. J.; Borchers, M.; Lott, P.; Grunwaldt, J.-D.; Doronkin, D. E. (2024). Elucidating the Role of the State of Pd in the H-SCR of NO by Operando XANES and DRIFTS. Catalysis Science & Technology. doi:10.1039/D4CY00574K
E-Moghaddam, M.; Dahmen, N.; Santo, U.; Sauer, J. (2024). Gasoline Synthesis from Biomass-Derived Syngas Comparing Different Methanol and Dimethyl Ether Pathways by Process Simulation, Based on the Bioliq Process. Energy & Fuels, 38 (5), 4229–4243. doi:10.1021/acs.energyfuels.3c04524
Enss, A. E.; Plessow, P. N.; Studt, F. (2024). Theoretical investigation of the paring mechanism of the MTO process in different zeolites. Journal of Catalysis, 432, Art.-Nr.: 115363. doi:10.1016/j.jcat.2024.115363
Fan, Y.; Li, Q.; Fonseca, F. G.; Song, J.; Gong, M. (2024). Optimizing the Extraction of Sugars from Sewage Sludge Using Ultrasound Combined with Thermal–Alkali. Water (Switzerland), 16 (9), Art.-Nr.: 1289. doi:10.3390/w16091289
Fonseca, F. G.; Funke, A. (2024). Modeling Fast Pyrolysis of Waste Biomass: Improving Predictive Capability. Energy and Fuels, 38 (10), 8762–8776. doi:10.1021/acs.energyfuels.3c05233
Fonseca, F. G.; Funke, A. (2024). Modeling of Liquid–Vapor Phase Equilibria of Pyrolysis Bio-oils: A Review. Industrial & Engineering Chemistry Research, 63 (31), 13401–13420. doi:10.1021/acs.iecr.4c00775
Freund, H.; Sauer, J.; Ehrhardt, K. (2024). Die Fachsektion Chemische Reaktionstechnik von DECHEMA und VDI hat sich neu formiert. Chemie Ingenieur Technik, 96 (6), 719. doi:10.1002/cite.202400059
Grunwaldt, J.-D.; Gashnikova, D.; Maurer, F.; Sauter, E.; Bernart, S.; Jelic, J.; Dolcet, P.; Maliakkal, C. B.; Wang, Y.; Wöll, C.; Studt, F.; Kübel, C.; Casapu, M. (2024). Highly Active Oxidation Catalysts through Confining Pd Clusters on CeO2 Nano‐Islands. Angewandte Chemie International Edition, Art. e202408511. doi:10.1002/anie.202408511
Guse, D.; Warmuth, L.; Herfet, M.; Adolf, K.; Zevaco, T. A.; Pitter, S.; Kind, M. (2024). Seeding as a Decisive Tool for Increasing Space-Time-Yields in the Preparation of High-Quality Cu/ZnO/ZrO₂ Catalysts. Catalysts, 14 (8), Article no: 517. doi:10.3390/catal14080517
Hagg, D.; Eifert, A.; Troßmann, T.; Frohnapfel, B.; Marschall, H.; Wörner, M. (2024). Numerical study of liquid imbibition and contact line pinning in a sealing gap for corrosion protection of metal housings. Progress in Computational Fluid Dynamics, An International Journal, 24 (2), 65 – 77. doi:10.1504/PCFD.2024.137058
Herzinger, E.; Wolf, M. (2024). Perspectives and Potential of Liquid Organic Hydrogen Carriers in the German Energy Scenario. Chemie Ingenieur Technik, 96 (1-2), 65–73. doi:10.1002/cite.202300227
Hinge, V. K.; Bairagi, M.; Yadav, N.; Joshi, S. K.; Shrivastava, B. D.; Jha, S. N.; Bhattacharya, D.; Gaur, A. (2024). Investigating local coordination and electronic nature of Cu centers in the copper complexes having aspartic and glutamic acids. X-Ray Spectrometry, 53 (1), 60–68. doi:10.1002/xrs.3369
Hodonj, D.; Borchers, M.; Zeh, L.; Hoang, G. T.; Tischer, S.; Lott, P.; Deutschmann, O. (2024). Impact of operation parameters and lambda input signal during lambda-dithering of three-way catalysts for low-temperature performance enhancement. Applied Catalysis B: Environmental, 345, Art.-Nr.: 123657. doi:10.1016/j.apcatb.2023.123657
Huang, J.; Klahn, M.; Tian, X.; Bartling, S.; Zimina, A.; Radtke, M.; Rockstroh, N.; Naliwajko, P.; Steinfeldt, N.; Peppel, T.; Grunwaldt, J.-D.; Logsdail, A. J.; Jiao, H.; Strunk, J. (2024). Fundamental structural and electronic understanding of palladium catalysts on nitride and oxide supports. Angewandte Chemie International Edition, Art.Nr.: e202400174. doi:10.1002/anie.202400174
Hübner, J. L.; Lucchetti, L. E. B.; Nong, H. N.; Sharapa, D. I.; Paul, B.; Kroschel, M.; Kang, J.; Teschner, D.; Behrens, S.; Studt, F.; Knop-Gericke, A.; Siahrostami, S.; Strasser, P. (2024). Cation Effects on the Acidic Oxygen Reduction Reaction at Carbon Surfaces. ACS Energy Letters, 9 (4), 1331–1338. doi:10.1021/acsenergylett.3c02743
Jalalinejad, A.; Yousefi Seyf, J.; Funke, A.; Dahmen, N. (2024). Phase Equilibrium Calculation of Bio-Oil-Related Molecules Using Predictive Thermodynamic Models. Energy and Fuels, 38 (4), 3171 – 3185. doi:10.1021/acs.energyfuels.3c04395
Kesari, A. S.; Chaganti, S. K.; Chowdhury, C. (2024). Quantum simulation of small molecules for multiple applications. Chemical Physics, 580, Art.-Nr.: 112195. doi:10.1016/j.chemphys.2024.112195
Klag, L.; Baumgarten, L.; Gaur, A.; Sheppard, T. L.; Grunwaldt, J.-D. (2024). Comparison of Structure and Reactivity of Hydrothermally Prepared Bi‐Mo‐Co‐Fe‐O Catalysts in Selective Propylene and Isobutene Oxidation. ChemCatChem, Art.-Nr.: e202301470. doi:10.1002/cctc.202301470
Klag, L.; Weber, S.; Horn, R.; Sheppard, T. L.; Grunwaldt, J.-D. (2024). Exploring structure, temperature and activity correlations in the selective oxidation of lower olefins over Bi-Mo-Co-Fe-O catalysts by spatial reactor profile measurements. Catalysis Science & Technology, 14 (4), 863–877. doi:10.1039/D3CY01445B
Lacerda de Oliveira Campos, B.; Oliveira Souza da Costa, A.; Herrera Delgado, K.; Pitter, S.; Sauer, J.; Ferreira da Costa Junior, E. (2024). Development of a surrogate artificial neural network for microkinetic modeling: case study with methanol synthesis. Reaction Chemistry & Engineering. doi:10.1039/d3re00409k
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
Mahayni, Y.; Maurer, L.; Auer, F.; Hutzler, A.; Wasserscheid, P.; Wolf, M. (2024). Structure sensitivity of the low temperature dehydrogenation of perhydro (di)benzyltoluene on supported platinum nanoparticles. Catalysis Science & Technology. doi:10.1039/D4CY00032C
Marchuk, V.; Sharapa, D. I.; Grunwaldt, J.-D.; Doronkin, D. E. (2024). Surface States Governing the Activity and Selectivity of Pt-Based Ammonia Slip Catalysts for Selective Ammonia Oxidation. ACS Catalysis, 1107–1120. doi:10.1021/acscatal.3c05019
Maurer, L. A.; Pham, C. v.; Fritsch, B.; Jeppesen, H. S.; Etter, M.; Hutzler, A.; Neder, R. B.; Wolf, M.; Auer, F.; Thiele, S.; Wasserscheid, P. (2024). Improving Hydrogen Release From Oxygen‐Functionalized LOHC Molecules by Ru Addition to Pt/C Catalysts. ChemCatChem, e202400375. doi:10.1002/cctc.202400375
Mehdipour, F.; Delrieux, T.; Maurer, F.; Grunwaldt, J.-D.; Klahn, C.; Dittmeyer, R. (2024). Opportunities and limitations of metal additive manufacturing of structured catalytic converters. Catalysis Communications, 106873. doi:10.1016/j.catcom.2024.106873
Mokashi, M.; Bhimrao Shirsath, A.; Lott, P.; Müller, H.; Tischer, S.; Maier, L.; Deutschmann, O. (2024). Understanding of gas-phase methane pyrolysis towards hydrogen and solid carbon with detailed kinetic simulations and experiments. Chemical Engineering Journal, 479, Art.Nr.: 147556. doi:10.1016/j.cej.2023.147556
Mokashi, M.; Shirsath, A. B.; Çelik, A.; Lott, P.; Müller, H.; Tischer, S.; Maier, L.; Bode, J.; Schlereth, D.; Scheiff, F.; Flick, D.; Bender, M.; Ehrhardt, K.; Deutschmann, O. (2024). Methane pyrolysis in packed bed reactors: Kinetic modeling, numerical simulations, and experimental insights. Chemical Engineering Journal, 485, Art.-Nr.: 149684. doi:10.1016/j.cej.2024.149684
Mokashi, M.; Shirsath, A. B.; Demir, S.; Çelik, A.; Lott, P.; Tischer, S.; Deutschmann, O. (2024). Kinetics of thermal dry reforming of methane for syngas production and solid carbon capture. Reaction Chemistry & Engineering. doi:10.1039/d4re00312h
Münzer, P.; Arnold, U.; Sauer, J. (2024). Process Design for the Directly Coupled Production of Methanol and Formaldehyde Based on CO. Chemie Ingenieur Technik. doi:10.1002/cite.202300183
Nazari, P.; Zimmermann, J.; Melzer, C.; Kowalsky, W.; Aghassi-Hagmann, J.; Hernandez-Sosa, G.; Lemmer, U. (2024). High‐Resolution Printed Ethylene Vinyl Acetate Based Strain Sensor for Impact Sensing. Advanced Sensor Research, Art.-Nr.: 2300189. doi:10.1002/adsr.202300189
Neukum, D.; Lakshmi Nilayam, A. R.; Ludwig, M. E.; Vadarlis, A. A.; Grunwaldt, J.-D.; Saraçi, E. (2024). Correction: Continuous flow oxidation of HMF using a supported AuPd-alloy. Catalysis Science & Technology, 14 (8), Art.-Nr.: 2306. doi:10.1039/d4cy90028f
Neukum, D.; Lakshmi Nilayam, A. R.; Ludwig, M. E.; Vadarlis, A. A.; Grunwaldt, J.-D.; Saraçi, E. (2024). Continuous flow oxidation of HMF using supported AuPd-alloy. Catalysis Science & Technology. doi:10.1039/D3CY01722B
Neukum, D.; Saraci, E.; Krause, B.; Nilayam, A. R. L.; Sinigalia, A.; Grunwaldt, J.-D. (2024). Pushing the Efficiency of the Selective and Base‐free Air‐Oxidation of HMF by Varying the Properties of Carbon‐based Supports. ChemCatChem. doi:10.1002/cctc.202301228
Neukum, D.; Saraçi, E.; Wüst, D.; Raj Lakshmi Nilayam, A.; Sharma, S.; Grunwaldt, J.-D. (2024). Rational process design for the efficient oxidation of crude HMF-solution using AuPd/C catalysts. Catalysis Today, 432, Article no: 114615. doi:10.1016/j.cattod.2024.114615
Nikolajsen, M. T.; Grivel, J.-C.; Gaur, A.; Hansen, L. P.; Baumgarten, L.; Schjødt, N. C.; Mentzel, U. V.; Grunwaldt, J.-D.; Sehested, J.; Christensen, J. M.; Høj, M. (2024). Surface ZnO on zirconia is highly active for high temperature methanol synthesis. Journal of Catalysis, 431, Art.-Nr.: 115389. doi:10.1016/j.jcat.2024.115389
Otroshchenko, T.; Sharapa, D. I.; Fedorova, E. A.; Zhao, D.; Kondratenko, E. V. (2024). Highly Efficient Low‐loaded PdOx/AlSiOx for Ethylene Dimerization. Angewandte Chemie International Edition, e202410646. doi:10.1002/anie.202410646
Paripsa, S.; Gaur, A.; Förste, F.; Doronkin, D. E.; Malzer, W.; Schlesiger, C.; Kanngießer, B.; Welter, E.; Grunwaldt, J.-D.; Lützenkirchen-Hecht, D. (2024). RefXAS: an open access database of X-ray absorption spectra. Journal of Synchrotron Radiation, 31 (5). doi:10.1107/S1600577524006751
Parku, G. K.; Funke, A.; Dahmen, N. (2024). Influence of selected quench media used for direct contact condensation on yield and composition of fast pyrolysis bio-oils aided by thermodynamic phase equilibria modelling. Separation and Purification Technology, 341, Art.-Nr.: 126873. doi:10.1016/j.seppur.2024.126873
Parku, G. K.; Pulicanti, S. R.; Funke, A.; Dahmen, N. (2024). Phase Equilibria Aided Optimization of Levoglucosan Extraction during Condensation of Fast Pyrolysis Bio-Oils. Energy and Fuels, 38 (15), 14343–14350. doi:10.1021/acs.energyfuels.4c01097
Pazos Urrea, M.; Meilinger, S.; Herold, F.; Gopakumar, J.; Tusini, E.; De Giacinto, A.; Zimina, A.; Grunwaldt, J.-D.; Chen, D.; Rønning, M. (2024). Aqueous Phase Reforming over Platinum Catalysts on Doped Carbon Supports: Exploring Platinum–Heteroatom Interactions. ACS Catalysis, 14 (6), 4139–4154. doi:10.1021/acscatal.3c05385
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
Prestigiacomo, C.; Fan, Y.; Hornung, U.; Dahmen, N.; Scialdone, O.; Galia, A. (2024). Hydrothermal liquefaction of sewage sludge: use of HCOOH and KOH to improve the slurry pumpability in a continuously operated plant. Heliyon, 10 (4), Art.-Nr.: e26287. doi:10.1016/j.heliyon.2024.e26287
Reich, J.; Kaiser, S.; Heiz, U.; Grunwaldt, J.-D.; Kappes, M. M.; Esch, F.; Lechner, B. A. J. (2024). A Critical View on the Quantification of Model Catalyst Activity. Topics in Catalysis. doi:10.1007/s11244-024-01920-0
Rex, A.; Almeida De Campos, L.; Gottschalk, T.; Ferreira Sanchez, D.; Trinke, P.; Czioska, S.; Saraçi, E.; Bensmann, B.; Grunwaldt, J.-D.; Hanke-Rauschenbach, R.; Sheppard, T. L. (2024). Elemental Distribution in Catalyst‐Coated Membranes of Proton Exchange Membrane Water Electrolysers Tracked by Synchrotron X‐Ray Fluorescence. Advanced Energy and Sustainability Research, Art.-Nr.: 2400048. doi:10.1002/aesr.202400048
Rodrigues Niquini, G.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Pitter, S.; Sauer, J. (2024). Experimental study and comprehensive kinetic modeling of the direct dimethyl ether synthesis on Cu/ZnO/ZrO₂ and H-FER-20. Chemical Engineering Journal, 480, Art.-Nr.: 147968. doi:10.1016/j.cej.2023.147968
Rodrigues Niquini, G.; Münzer, P.; Ebrahim-Moghaddam, M.; Warmuth, L.; Herrera Delgado, K.; Pitter, S.; Dahmen, N.; Sauer, J. (2024). Regenerativ erzeugter Wasserstoff – Perspektiven in chemischen Wertschöpfungsketten [Regeneratively Produced Hydrogen – Perspectives in Chemical Value Chains]. Chemie Ingenieur Technik. doi:10.1002/cite.202300221
Rosmini, C.; Pazos Urrea, M.; Tusini, E.; Indris, S.; Kovacheva, D.; Karashanova, D.; Kolev, H.; Zimina, A.; Grunwaldt, J.-D.; Rønning, M.; Dimitrov, M.; Popova, M. (2024). Unveiling the synergistic effects of pH and Sn content for tuning the catalytic performance of Ni^0/Ni_{x}Sn_{y} intermetallic compounds dispersed on Ce-Zr mixed oxides in the aqueous phase reforming of ethylene glycol. Applied catalysis / B, 350, Art.Nr.: 123904. doi:10.1016/j.apcatb.2024.123904
Sarma, B. B.; Grunwaldt, J.-D. (2024). Operando Spectroscopy to Understand Dynamic Structural Changes of Solid Catalysts. CHIMIA, 78 (5), 288–296. doi:10.2533/chimia.2024.288
Sarma, B. B.; Neukum, D.; Doronkin, D. E.; Lakshmi Nilayam, A. R.; Baumgarten, L.; Krause, B.; Grunwaldt, J.-D. (2024). Understanding the role of supported Rh atoms and clusters during hydroformylation and CO hydrogenation reactions with in situ / operando XAS and DRIFT spectroscopy. Chemical Science. doi:10.1039/D4SC02907K
Schmitt, C.; Da Roit, N.; Neumaier, M.; Maliakkal, C. B.; Wang, D.; Henrich, T.; Kübel, C.; Kappes, M.; Behrens, S. (2024). Continuous flow synthesis of atom-precise platinum clusters. Nanoscale Advances. doi:10.1039/d4na00074a
Scotti, N.; Borsacchi, S.; Monti, S.; Zimina, A.; Evangelisti, C.; Geppi, M.; Dambruoso, P.; Barcaro, G.; Bossola, F.; Dal Santo, V.; Ravasio, N. (2024). Spectroscopic and theoretical investigation of Brønsted acid sites in amorphous mixed Zr-Si oxide nanoparticles. Journal of Alloys and Compounds, 992, Article no: 174545. doi:10.1016/j.jallcom.2024.174545
Sen, U.; Fonseca, F. G.; Chi, Y.; Pereira, H.; Funke, A. (2024). Fast pyrolysis of the waste lignocellulosic phloem fraction of Quercus cerris bark in a twin-screw reactor. Biomass Conversion and Biorefinery. doi:10.1007/s13399-024-05921-7
Sheikh, K. A.; Zaghini Francesconi, V.; Zevaco, T. A.; Sauer, J. (2024). Carbonylation of dimethoxymethane: a study on the reactivity of different solid acid catalysts. Catalysis Science & Technology, 14, 1148–1166. doi:10.1039/D3CY01286G
Shekhar, S.; Chowdhury, C. (2024). Topological data analysis enhanced prediction of hydrogen storage in metal–organic frameworks (MOFs). Materials Advances, 2024 (5), 820–830. doi:10.1039/D3MA00591G
Shekhar, S.; Chowdhury, C. (2024). Prediction of hydrogen storage in metal-organic frameworks: A neural network based approach. Results in Surfaces and Interfaces, 14, Art.-Nr.: 100166. doi:10.1016/j.rsurfi.2023.100166
Shrestha, B.; Posom, J.; Sirisomboon, P.; Shrestha, B. P.; Funke, A. (2024). Effect of Combined Non-Wood and Wood Spectra of Biomass Chips on Rapid Prediction of Ultimate Analysis Parameters Using near Infrared Spectroscopy. Energies, 17 (2), Art.-Nr.: 439. doi:10.3390/en17020439
Shrestha, B.; Posom, J.; Sirisomboon, P.; Shrestha, B. P.; Pornchaloempong, P.; Funke, A. (2024). NIR Spectroscopy as an Alternative to Thermogravimetric Analyzer for Biomass Proximate Analysis: Comparison of Chip and Ground Biomass Models. Energies, 17 (4), Art.-Nr.: 800. doi:10.3390/en17040800
Silva, W. R.; Santos, T. M.; Carregosa, J. C.; Schmitt, C. C.; Raffelt, K.; Dahmen, N.; Wisniewski, A., Jr. (2024). Bio-oil as a source of renewable chemicals: the chemistry of pyrolytic lignin. Biomass Conversion and Biorefinery. doi:10.1007/s13399-024-05622-1
Smitshuysen, T. E. L.; Lützen, M.; Zimina, A.; Sheppard, T. L.; Jakobsen, H. H.; Chorkendorff, I.; Damsgaard, C. D. (2024). Using CoCuGa/SiO to identify stability-issues in ethanol-selective Co-Cu alloyed catalysts in carbon monoxide hydrogenation. Applied Catalysis A: General, 675, Art.-Nr.: 119636. doi:10.1016/j.apcata.2024.119636
Spielmann, J.; Braig, D.; Streck, A.; Gustmann, T.; Kuhn, C.; Reinauer, F.; Kurnosov, A.; Leubner, O.; Potapkin, V.; Hasse, C.; Deutschmann, O.; Etzold, B. J. M.; Scholtissek, A.; Kramm, U. I. (2024). Exploring the oxidation behavior of undiluted and diluted iron particles for energy storage: Mössbauer spectroscopic analysis and kinetic modeling. Physical Chemistry Chemical Physics, 26 (17), 13049–13060. doi:10.1039/d3cp03484d
Strauch, D.; Weiner, P.; Sarma, B. B.; Körner, A.; Herzinger, E.; Wolf, P.; Zimina, A.; Hutzler, A.; Doronkin, D. E.; Grunwaldt, J.-D.; Wasserscheid, P.; Wolf, M. (2024). Bimetallic platinum rhenium catalyst for efficient low temperature dehydrogenation of perhydro benzyltoluene. Catalysis Science & Technology. doi:10.1039/D3CY01336G
Suarez Orduz, H. A.; Heck, S.-L.; Dolcet, P.; Watier, Y.; Casapu, M.; Grunwaldt, J.-D.; Glatzel, P. (2024). Versatile spectroscopic cell for operando studies in heterogeneous catalysis using tender X‐ray spectroscopy in fluorescence mode. Chemistry–Methods. doi:10.1002/cmtd.202300044
Suarez Orduz, H. A.; Bugarin, L.; Heck, S.-L.; Dolcet, P.; Casapu, M.; Grunwaldt, J.-D.; Glatzel, P. (2024). L-edge X-ray spectroscopy of rhodium and palladium compounds. Journal of Synchrotron Radiation, 31 (4). doi:10.1107/S1600577524004673
Treu, P.; Gonçalves, D.; Lakshmi Nilayam, A. R.; Grunwaldt, J.-D.; Saraçi, E. (2024). One‐pot cascade reaction from epoxide to carboxylic acids using bifunctional Fe‐ZSM‐5. ChemCatChem, Art.-Nr.: 202400626. doi:10.1002/cctc.202400626
Tusini, E.; Casapu, M.; Zimina, A.; Doronkin, D. E.; Störmer, H.; Barthe, L.; Belin, S.; Grunwaldt, J.-D. (2024). Structural Changes of Ni and Ni–Pt Methane Steam Reforming Catalysts During Activation, Reaction, and Deactivation Under Dynamic Reaction Conditions. ACS Catalysis, 7463–7477. doi:10.1021/acscatal.3c05847
Vadarlis, A. A.; Neukum, D.; Lemonidou, A. A.; Boukis, N.; Sauer, J. (2024). Direct steam reforming of the product gas from ethanol gasification with supercritical water. International Journal of Hydrogen Energy, 49 (A), 992–1008. doi:10.1016/j.ijhydene.2023.08.108
Warmuth, L.; Steurer, M.; Schild, D.; Zimina, A.; Grunwaldt, J.-D.; Pitter, S. (2024). Reversible and Irreversible Structural Changes in Cu/ZnO/ZrO₂ Catalysts during Methanol Synthesis. ACS Applied Materials & Interfaces. doi:10.1021/acsami.3c17383
Weber, S.; Karpov, D.; Kahnt, M.; Diaz, A.; Romanenko, Y.; Kotrel, S.; Haas, A.; Hinrichsen, B.; Bottke, N.; Grunwaldt, J.-D.; Schunk, S.; Sheppard, T. L. (2024). Multimodal Hard X‐ray Nanotomography Probes Pore Accessibility of Technical Catalysts after Coking. ChemCatChem, e202301298. doi:10.1002/cctc.202301298
Weih, N.; Niebel, A.; Pfitzer, C.; Funke, A.; Parku, G. K.; Dahmen, N. (2024). Operational experience with miscanthus feedstock at the bioliq® fast pyrolysis plant. Journal of Analytical and Applied Pyrolysis, 177, Article no: 106338. doi:10.1016/j.jaap.2023.106338
Wörner, M.; Barsuhn, A.; Zevaco, T.; Hornung, U.; Dahmen, N. (2024). From Pulp to Aromatic Products─Reaction Pathways of Lignin Depolymerization. Energy & Fuels, 38 (7), 6020–6035. doi:10.1021/acs.energyfuels.3c04509
Wörner, M.; Werner, L.; Hornung, U.; Islongo Canabarro, N.; Baudouin, D.; Dahmen, N. (2024). The Impact of Sulfur-Containing Inorganic Compounds during the Depolymerization of Lignin by Hydrothermal Liquefaction of Black Liquor. Energy & Fuels, 38 (7), 6036–6047. doi:10.1021/acs.energyfuels.3c04737
Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Zada, H.; Wang, L.; Sun, J. (2024). Inside Back Cover: Unlocking a Dual‐Channel Pathway in CO Hydrogenation to Methanol over Single‐Site Zirconium on Amorphous Silica. Angewandte Chemie International Edition, 63 (4). doi:10.1002/anie.202319538
Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Zada, H.; Wang, L.; Sun, J. (2024). Unlocking a Dual‐Channel Pathway in CO Hydrogenation to Methanol over Single‐Site Zirconium on Amorphous Silica. Angewandte Chemie - International Edition, 63 (4), Art.Nr.: e202312292. doi:10.1002/anie.202312292
Zeh, A.; Zimmermann, M.; Albert, R.; Drüppel, K.; Gerdes, A. (2024). Zircon U-Pb-Hf isotope systematics of southern Black Forest gneiss units (Germany) – Implications for the pre-Variscan evolution of Central Europe. Gondwana Research, 128, 351 – 367. doi:10.1016/j.gr.2023.11.008
Zengel, D.; Marchuk, V.; Kurt, M.; Maurer, F.; Salcedo, A.; Michel, C.; Loffreda, D.; Aouine, M.; Loridant, S.; Vernoux, P.; Störmer, H.; Casapu, M.; Grunwaldt, J.-D. (2024). Pd loading threshold for an efficient noble metal use in Pd/CeO2 methane oxidation catalysts. Applied Catalysis B: Environment and Energy, 358, Art.-Nr.: 124363. doi:10.1016/j.apcatb.2024.124363
Zhang, Q.; Li, Y.; Otroshchenko, T.; Kondratenko, V. A.; Wu, K.; Fedorova, E. A.; Doronkin, D. E.; Bartling, S.; Lund, H.; Jiang, G.; Kondratenko, E. V. (2024). The enhancing effect of Co on propane non-oxidative dehydrogenation over supported Co/ZrO catalysts. Journal of Catalysis, 432, Art.-Nr.: 115440. doi:10.1016/j.jcat.2024.115440
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
Zimina, A.; Léon, A.; Steininger, R. (2024). Chemical bonding effects in Sc compounds studied using X-ray absorption and X-ray photoelectron spectroscopies. Physical Chemistry Chemical Physics. doi:10.1039/D3CP04108E
Reports/Preprints
Mahayni, Y.; Maurer, L.; Baumeister, I.; Auer, F.; Wasserscheid, P.; Wolf, M. (2024). Batch and continuous synthesis of well-defined Pt/Al2O3 catalysts for the dehydrogenation of homocyclic LOHCs. ChemRxiv. doi:10.26434/chemrxiv-2024-slhhv
Presentations
Dutzi, J.; Boukis, N.; Sauer, J. (2024). Development of a novel reactor design for the process of supercritical water gasification to increase gasification efficiency and reduce solid deposition in the reaction system. Annual Meeting on Reaction Engineering and Electrochemical Processes (2024), Würzburg, Germany, May 6–8, 2024.
Dutzi, J.; Boukis, N.; Sauer, J. (2024). Development of a two-stream concept to increase the gasification efficiency of the SCWG process. 32nd European Biomass Conference and Exhibition (EUBCE 2024), Marseille, France, June 24–28, 2024.
Dutzi, J.; Vadarlis, A.; Boukis, N.; Sauer, J. (2024, July 30). Hydrothermal gasification: a pathway to renewable energy from contaminated biomass. ENERGY TRANSITION ON FARMS Renewable Sources and Electrification (Summer School 2024), Pieve Tesino, Italy, July 29–August 3, 2024.
Posters
Dutzi, J.; Boukis, N.; Sauer, J. (2024). Supercritical water gasification of contaminated biomasses. Final meeting and Final Project Event of H2020 project CERESiS (2024), Thessaloniki, Greece, April 23, 2024.
Dutzi, J.; Vadarlis, A.; Boukis, N.; Sauer, J. (2024). Investigation of Water Consumption in Supercritical Water Gasification of Ethanol. 32nd European Biomass Conference and Exhibition (EUBCE 2024), Marseille, France, June 24–28, 2024.
Widmann, C.; Amersdorfer, M.; Biniyaminov, V.; Bründermann, E.; Doronkin, D.; Gethmann, J.; Grunwaldt, J. D.; Kolli, S. K.; Santamaria Garcia, A.; Sapronov, A.; Weidler, P.; Xu, C.; Zimina, A. V.; Müller, A.-S. (2024, May). Research Data Management and Data Flow in ROCK-IT. 15th International Particle Accelerator Conference (IPAC 2024), Nashville, TN, USA, May 19–24, 2024.
Research Data
Das, S.; Kahnt, M.; van Valen, Y.; Bergh, T.; Venvik, H. J.; Sheppard, T. L. (2024, August 6). 2D reconstructions of Ag catalysts studied using in situ X-ray ptychography at P06 beamline, PETRA III, DESY. doi:10.35097/ebe9hsrmkpcwq5fv
Das, S.; Stuckelberger, M. E.; Pottbacker, J.; Jakobtorweihen, S.; Schroer, C. G.; Horn, R.; Sheppard, T. L. (2024, February 22). Resonant STXM-CT on single wire extracted from Pt/Rh gauzes treated under ammonia oxidation conditions for 50 days. doi:10.35097/1932
Das, S.; Stuckelberger, M. E.; Pottbacker, J.; Jakobtorweihen, S.; Schroer, C. G.; Horn, R.; Sheppard, T. L. (2024, February 22). Resonant STXM-CT on single wire extracted from Pt/Rh gauzes treated under ammonia oxidation conditions for 100 h. doi:10.35097/1931
Das, S.; Stuckelberger, M. E.; Pottbacker, J.; Jakobtorweihen, S.; Schroer, C. G.; Horn, R.; Sheppard, T. L. (2024, February 22). Resonant STXM-CT on single wire extracted from Pt/Rh gauzes treated under ammonia oxidation conditions for 50 h. doi:10.35097/1930
Das, S.; Stuckelberger, M. E.; Pottbacker, J.; Jakobtorweihen, S.; Schroer, C. G.; Horn, R.; Sheppard, T. L. (2024, February 22). Resonant STXM-CT on single wire extracted from Pt/Rh gauzes treated under ammonia oxidation conditions for 24 h. doi:10.35097/1929
De Campos, L.; Rex, A.; Gottschalk, T.; Sanchez, D. F.; Trinke, P.; Czioska, S.; Saraçi, E.; Bensmann, B.; Grunwaldt, J.-D.; Hanke-Rauschenbach, R.; Sheppard, T. L. (2024, May 29). Elemental Distribution in Catalyst-Coated Membranes of PEM Water Electrolysers Tracked by Synchrotron X-ray Fluorescence - Pristine CCM. doi:10.35097/CtiKQoyOgLCNsOBP
De Campos, L.; Rex, A.; Gottschalk, T.; Sanchez, D. F.; Trinke, P.; Czioska, S.; Saraçi, E.; Bensmann, B.; Grunwaldt, J.-D.; Hanke-Rauschenbach, R.; Sheppard, T. L. (2024, May 29). Elemental Distribution in Catalyst-Coated Membranes of PEM Water Electrolysers Tracked by Synchrotron X-ray Fluorescence - Fe2+ contaminated CCM. doi:10.35097/UhRarunqHJGutUVx
De Campos, L.; Rex, A.; Gottschalk, T.; Sanchez, D. F.; Trinke, P.; Czioska, S.; Saraçi, E.; Bensmann, B.; Grunwaldt, J.-D.; Hanke-Rauschenbach, R.; Sheppard, T. L. (2024, May 29). Elemental Distribution in Catalyst-Coated Membranes of PEM Water Electrolysers Tracked by Synchrotron X-ray Fluorescence - 100 h CV CCM. doi:10.35097/cjrGdnJmzvwVZRJZ
Delrieux, T.; Sharma, S.; Maurer, F.; Dolcet, P.; Lausch, M.; Zimina, A.; Cardenas, C.; Lott, P.; Casapu, M.; Sheppard, T.; Grunwaldt, J.-D. (2024, June 12). A laboratory scale fast feedback characterization loop for optimizing coated catalysts for emission control - Raw data. doi:10.35097/SIMRazQvMFmcyCnX
Gashnikova, D.; Maurer, F.; Sauter, E.; Bernart, S.; Jelic, J.; Dolcet, P.; Maliakkal, C. B.; Wang, Y.; Wöll, C.; Studt, F.; Kübel, C.; Casapu, M.; Grunwaldt, J. D. (2024, July 16). Highly Active Oxidation Catalysts through Confining Pd Clusters on CeO2 Nano-Islands - raw data. doi:10.35097/PVkiykxrYcyhDLeP
Kahnt, M.; Das, S.; van Valen, Y.; Bergh, T.; Venvik, H. J.; Sheppard, T. (2024, August 6). 2D reconstructions of Ag catalysts studied using in situ X-ray ptychography at the NanoMAX beamline, MAX IV. doi:10.35097/prxrp7rx8rgfhdxu
Kramarenko, A. S.; Studt, F. (2024, July 12). Ab initio Kinetics of Electrochemical Reactions using Computational Ferrocenium Electrode - Simulation code. doi:10.35097/VKVYEoWBRxzhwiPh
Neukum, D.; Nilayam, A. R. L.; Ludwig, M. E.; Vadarlis, A. A.; Grunwaldt, J.-D.; Saraçi, E. (2024, March 1). Raw data: Continuous flow oxidation of HMF using supported AuPd-alloy. doi:10.35097/1938
Neukum, D.; Saraçi, E.; Krause, B.; Nilayam, A. R., Lakshmi; Sinigalia, A.; Grunwaldt, J.-D. (2024, January 17). Pushing the Efficiency of the Selective and Base-free Air-Oxidation of HMF by Varying the Properties of Carbon-based Supports - Raw data. doi:10.35097/1881
Schmitt, C.; Da Roit, N.; Neumaier, M.; Maliakkal, C. B.; Henrich, T.; Wang, D.; Kübel, C.; Kappes, M.; Behrens, S. (2024, March 13). Raw data for Continuous Flow synthesis of Atom-Precise Platinum Clusters. doi:10.35097/1955
Treu, P.; Gonçalves, D.; Raj Lakshmi Nilayam, A.; Grunwaldt, J.-D.; Saraci, E. (2024, July 5). Raw data for One-pot cascade reaction from epoxide to carboxylic acids using bifunctional Fe-ZSM-5. doi:10.35097/cPicihmYJUYScVRH
Weber, S.; Karpov, D.; Kahnt, M.; Diaz, A.; Romanenko, Y.; Kotrel, S.; Haas, A.; Hinrichsen, B.; Bottke, N.; Grunwaldt, J.-D.; Schunk, S. A.; Sheppard, T. (2024, August 6). X-ray fluorescence tomography dataset of propane dehydrogenation catalyst. doi:10.35097/712bnep20p9910bh
Weber, S.; Karpov, D.; Kahnt, M.; Diaz, A.; Romanenko, Y.; Kotrel, S.; Haas, A.; Hinrichsen, B.; Bottke, N.; Grunwaldt, J.-D.; Schunk, S. A.; Sheppard, T. (2024, August 6). Ptychographic tomography dataset of propane dehydrogenation catalyst. doi:10.35097/1f9hxh7bjebv7qtp
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
Amsler, J. (2023, May 3). Development of Anharmonic Molecular Models and Simulation of Reaction Kinetics in Zeolite Catalysis. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000158254
Baehr, C. (2023, February 14). Charakterisierung des Alterungsverhaltens von Pyrolyseöl sowie dessen Stabilisierung und Konditionierung mit Ethanol und verdichtetem CO₂. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000155830
Banivaheb, S. (2023, August 22). Integrated Microreactor System for One-stage Synthesis of Dimethyl Ether from Carbon Dioxide and Hydrogen. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000161161
Delgado Otalvaro, N. (2023, February 1). Semi-mechanistic, data-based, and hybrid models: A comprehensive comparison on the example of the direct DME synthesis from CO2-rich synthesis gas. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000155261
Fonseca, F. G. (2023, August 9). Process simulation and optimization of biomass fast pyrolysis. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000161174
Hakimioun, A. H. (2023, October 20). Theoretical Studies on the Influence of Size and Support Interactions of Copper Catalysts for CO2 Hydrogenation to Methanol. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000162772
Kövilein, A. (2023, June 26). From acetate to value-added products: L-malic acid production with Aspergillus oryzae. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000159501
Lacerda de Oliveira Campos, B. (2023, May 8). Multiscale modeling of the methanol synthesis: from surface reaction kinetics to techno-economic analysis. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000158433
Neuner, P. (2023, August 4). Hydroprocessing von synthetischen Wachsen zur Schmiermittelproduktion. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000161117
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).
Weber, S. (2023, July 17). Revealing Porosity and Structure of Ni-based Catalysts for Dynamic CO Methanation with Hard X-rays. PhD dissertation. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000160428
Journal Articles
Ajikashile, J. O.; Alhnidi, M.-J.; Parku, G. K.; Funke, A.; Kruse, A. (2023). A study on the fast pyrolysis of millet and sorghum straws sourced from arid and semi-arid regions of Nigeria in a twin-screw mixing reactor. Materials Science for Energy Technologies, 6, 388–398. doi:10.1016/j.mset.2023.03.007
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
Arnold, U.; Ghosh Chowdhury, A.; Drexler, M.; Eichner, F.; Zaghini Francesconi, V.; Fuchs, C.; Münzer, P.; Niethammer, B.; Sheikh, K.; Sauer, J. (2023). Methanol als Schlüsselelement für die Herstellung von Kraftstoffen Teil 2. gwf Gas + Energie, 164 (02-03), 58–67.
Arnold, U.; Ghosh Chowdhury, A.; Drexler, M.; Eichner, F.; Zaghini Francesconi, V.; Fuchs, C.; Münzer, P.; Niethammer, B.; Sheikh, K.; Sauer, J. (2023). Methanol als Schlüsselelement für die Herstellung von Kraftstoffen Teil 1. gwf Gas + Energie, 164 (01), 71–77.
Baehr, C.; Acar, R.; Hamrita, C.; Raffelt, K.; Dahmen, N. (2023). CO Solubility in Fast Pyrolysis Bio-oil. Industrial & Engineering Chemistry Research, 62 (38), 15378–15385. doi:10.1021/acs.iecr.3c02070
Bhimrao Shirsath, A.; Schulte, M. L.; Kreitz, B.; Tischer, S.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Spatially-resolved investigation of CO2 methanation over Ni/γ-Al2O3 and Ni3.2Fe/γ-Al2O3 catalysts in a packed-bed reactor. Chemical Engineering Journal, Art.-Nr.: 143847. doi:10.1016/j.cej.2023.143847
Bodziony, F.; Wörner, M.; Marschall, H. (2023). The stressful way of droplets along single fibre strands : A computational analysis. Physics of Fluids, 35 (1), Art.-Nr.: 012110. doi:10.1063/5.0131032
Borgmann, L. M.; Johnsen, S.; Oliveira, C., Santos de; Martins de Souza e Silva, J.; Li, J.; Kirchlechner, C.; Gomard, G.; Wiegand, G.; Hölscher, H. (2023). Porous polymeric microparticles foamed with supercritical CO₂ as scattering white pigments. Bioinspiration & Biomimetics, 18 (2), Art.-Nr. 026011. doi:10.1088/1748-3190/acb899
Campos Fraga, M. M.; Vogt, J.; Lacerda de Oliveira Campos, B.; Schmitt, C. C.; Raffelt, K.; Dahmen, N. (2023). Investigation of NbO and Its Polymorphs as Catalyst Supports for Pyrolysis Oil Upgrading through Hydrodeoxygenation. Energy & Fuels, 37 (14), 10474–10492. doi:10.1021/acs.energyfuels.3c01152
Chacko, R.; Keller, K.; Tischer, S.; Shirsath, A. B.; Lott, P.; Angeli, S.; Deutschmann, O. (2023). Automating the Optimization of Catalytic Reaction Mechanism Parameters Using Basin-Hopping: A Proof of Concept. The Journal of Physical Chemistry C, 127 (16), 7628–7639. doi:10.1021/acs.jpcc.2c08179
Chang, X.; Zhao, Z.-J.; Lu, Z.; Chen, S.; Luo, R.; Zha, S.; Li, L.; Sun, G.; Pei, C.; Gong, J. (2023). Designing single-site alloy catalysts using a degree-of-isolation descriptor. Nature Nanotechnology, 18 (6), 611–616. doi:10.1038/s41565-023-01344-z
Delove Tegladza, I.; Kordorwu, V.; Kofi Parku, G.; Bentum Hammond, C.; Hammond Quarcoo, F. (2023). Modelling studies of the diffusivity and intersolubility of semi volatile organic compounds in water. The holistic approach to environment, 13 (2), 63–75. doi:10.33765/thate.13.2.3
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Energetic Assessment of SCWG Experiments with Reed Canary Grass and Ethanol Solution on Laboratory and Pilot Scale. Energies, 16 (19), Article no: 6848. doi:10.3390/en16196848
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Process Effluent Recycling in the Supercritical Water Gasification of Dry Biomass. Processes, 11 (3), Art.-Nr.: 797. doi:10.3390/pr11030797
Dutzi, J.; Vadarlis, A. A.; Boukis, N.; Sauer, J. (2023). Comparison of Experimental Results with Thermodynamic Equilibrium Simulations of Supercritical Water Gasification of Concentrated Ethanol Solutions with Focus on Water Splitting. Industrial & Engineering Chemistry Research, 62 (32), 12501–12512. doi:10.1021/acs.iecr.3c01595
Eichner, F.; Sauer, J.; Bender, M.; Behrens, S. (2023). The titania-catalyzed oxidative dehydrogenation of methanol to formaldehyde. Applied Catalysis A: General, 663, Art.-Nr.: 119305. doi:10.1016/j.apcata.2023.119305
Eichner, F.; Turan, E.; Sauer, J.; Bender, M.; Behrens, S. (2023). Supported silver and copper catalysts in the oxidative dehydrogenation of methanol to formaldehyde: a comparative study under industrially relevant conditions. Catalysis Science & Technology, 13, 2349–2359. doi:10.1039/D2CY01405J
Engl, T.; Langer, M.; Freund, H.; Rubin, M.; Dittmeyer, R. (2023). Tap Reactor for Temporally and Spatially Resolved Analysis of the CO Methanation Reaction. Chemie Ingenieur Technik, 95 (5), 658–667. doi:10.1002/cite.202200204
Esmaeilpour, M.; Bügel, P.; Fink, K.; Studt, F.; Wenzel, W.; Kozlowska, M. (2023). Multiscale Model of CVD Growth of Graphene on Cu(111) Surface. International Journal of Molecular Sciences, 24 (10), Art.-Nr.: 8563. doi:10.3390/ijms24108563
Evers, J.; Klapötke, T. M.; Beck, W.; Völkl, M. B. R.; Oehlinger, G.; Köppe, R.; Zimina, A.; Wolf, S. (2023). PdCl(NO) – an iconic compound with corrugated PdCl octagons built up by PdCl(NO) moieties. Zeitschrift für anorganische und allgemeine Chemie, 649 (6-7). doi:10.1002/zaac.202200337
Fan, Y.; Meyer, L.; Gong, M.; Krause, B.; Hornung, U.; Dahmen, N. (2023). Understanding the fate of nitrogen during catalytic hydrothermal liquefaction of sewage sludge. Fuel, 339, Art.-Nr.: 126948. doi:10.1016/j.fuel.2022.126948
Freund, H.; Sauer, J.; Wachsen, O. (2023). „Digitalisierung der Reaktionstechnik“: ein Themenfeld mit vielen Facetten!. Chemie Ingenieur Technik, 95 (5), 619. doi:10.1002/cite.202370502
Fuchs, C.; Arnold, U.; Sauer, J. (2023). (Co‐)Oligomerization of Olefins to Hydrocarbon Fuels: Influence of Feed Composition and Pressure. Chemie Ingenieur Technik, 95 (5), 651–657. doi:10.1002/cite.202200209
Ghude, S.; Chowdhury, C. (2023). Exploring Hydrogen Storage Capacity in Metal‐Organic Frameworks: A Bayesian Optimization Approach. Chemistry – A European Journal, 29 (69), e202301840. doi:10.1002/chem.202301840
Hakimioun, A. H.; Vandegehuchte, B. D.; Curulla-Ferre, D.; Kaźmierczak, K.; Plessow, P. N.; Studt, F. (2023). Metal–Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide. ACS Omega, 8 (11), 10591–10599. doi:10.1021/acsomega.3c00502
Huang, X.; Eggart, D.; Qin, G.; Sarma, B. B.; Gaur, A.; Yang, J.; Pan, Y.; Li, M.; Hao, J.; Yu, H.; Zimina, A.; Guo, X.; Xiao, J.; Grunwaldt, J.-D.; Pan, X.; Bao, X. (2023). Methyl radical chemistry in non-oxidative methane activation over metal single sites. Nature Communications, 14, Article no: 5716. doi:10.1038/s41467-023-41192-y
Huber, P.; Plessow, P. N. (2023). A computational investigation of the decomposition of acetic acid in H-SSZ-13 and its role in the initiation of the MTO process. Catalysis Science & Technology, 13 (6), 1905–1917. doi:10.1039/d2cy01779b
Huber, P.; Pleßow, P. N. (2023). The role of decarboxylation reactions during the initiation of the methanol-to-olefins process. Journal of Catalysis, 428, Art.-Nr.: 115134. doi:10.1016/j.jcat.2023.115134
Jalalinejad, A.; Seyf, J. Y.; Funke, A.; Dahmen, N. (2023). Solvent Screening for Separation of Lignin-Derived Molecules Using the NIST-UNIFAC Model. ACS Sustainable Chemistry and Engineering, 11 (20), 7863–7873. doi:10.1021/acssuschemeng.3c00906
Jung, D.; Duman, G.; Zimmermann, M.; Kruse, A.; Yanik, J. (2023). Hydrothermal carbonization of fructose—effect of salts and reactor stirring on the growth and formation of carbon spheres. Biomass Conversion and Biorefinery, 13, 6281–6297. doi:10.1007/s13399-021-01782-6
Kalinin, M. A.; Kriebel, M.; Oshchepkov, A. S.; Sharapa, D. I. (2023). Graphocrown—A Novel, Two-Dimensional Oxocarbon: A Theoretical Study. Crystals, 13 (6), Art.-Nr.: 909. doi:10.3390/cryst13060909
Kant, P.; Liang, S.; Rubin, M.; Ozin, G. A.; Dittmeyer, R. (2023). Low-cost photoreactors for highly photon/energy-efficient solar-driven synthesis. Joule, 7 (6), 1347 – 1362. doi:10.1016/j.joule.2023.05.006
Kant, P.; Trinkies, L. L.; Gensior, N.; Fischer, D.; Rubin, M.; Alan Ozin, G.; Dittmeyer, R. (2023). Isophotonic reactor for the precise determination of quantum yields in gas, liquid, and multi-phase photoreactions. Chemical Engineering Journal, 452 (Part 2), Art.-Nr.: 139204. doi:10.1016/j.cej.2022.139204
Keller, K.; Lott, P.; Tischer, S.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Methane Oxidation over PdO: Towards a Better Understanding of the Influence of the Support Material. ChemCatChem, 15 (11), Art.-Nr.: e202300366. doi:10.1002/cctc.202300366
Klag, L.; Gaur, A.; Stehle, M.; Weber, S.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). Role of Iron and Cobalt in 4-Component Bi–Mo–Co–Fe–O Catalysts for Selective Isobutene Oxidation Using Complementary Operando Techniques. ACS Catalysis, 13, 14241–14256. doi:10.1021/acscatal.3c03433
Klag, L.; Sheppard, T. L.; Grunwaldt, J.-D. (2023). An Advanced Characterization Toolbox for Selective Olefin Oxidation Catalysts. ChemCatChem, 15 (3), Art.-Nr.: e202201276. doi:10.1002/cctc.202201276
Kordus, D.; Jelic, J.; Lopez Luna, M.; Divins, N. J.; Timoshenko, J.; Timoshenko, J.; Chee, S. W.; Rettenmaier, C.; Kröhnert, J.; Kühl, S.; Trunschke, A.; Trunschke, A.; Schlögl, R.; Studt, F.; Roldan Cuenya, B. (2023). Shape-Dependent CO Hydrogenation to Methanol over CuO Nanocubes Supported on ZnO. Journal of the American Chemical Society, 145 (5), 3016–3030. doi:10.1021/jacs.2c11540
Kreitz, B.; Lott, P.; Studt, F.; Medford, A. J. J.; Deutschmann, O.; Goldsmith, C. F. (2023). Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties. Angewandte Chemie - International Edition, 62 (39), Art.-Nr.: e202306514. doi:10.1002/anie.202306514
Machoke, A. G. F.; Arias, A. M.; Baracchini, G.; Rubin, M.; Baser, H.; Weissenberger, T.; Dittmeyer, R.; Weber, A.; Hartmann, M.; Schwieger, W. (2023). MFI Type Zeolite Aggregates with Nanosized Particles via a Combination of Spray Drying and Steam-Assisted Crystallization (SAC) Techniques. Catalysts, 13 (3), Art.-Nr.: 536. doi:10.3390/catal13030536
Marchuk, V.; Huang, X.; Grunwaldt, J.-D.; Doronkin, D. E. (2023). Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts. Catalysis Science & Technology. doi:10.1039/D2CY02095E
Mazzariol, C.; Tajoli, F.; Sedykh, A. E.; Dolcet, P.; Grunwaldt, J.-D.; Müller-Buschbaum, K.; Gross, S. (2023). Effective Space Confinement by Inverse Miniemulsion for the Controlled Synthesis of Undoped and Eu -Doped Calcium Molybdate Nanophosphors: A Systematic Comparison with Batch Synthesis. ACS Applied Nano Materials, 6 (17), 15510–15520. doi:10.1021/acsanm.3c02136
Michler, T.; Wippermann, N.; Toedter, O.; Niethammer, B.; Otto, T.; Arnold, U.; Pitter, S.; Koch, T.; Sauer, J. (2023). Corrigendum to “Gasoline from the bioliq® process: Production, characterization and performance” [Fuel Processing Technology 206 (2020) 106476]. Fuel Processing Technology, 240, Art.Nr. 107577. doi:10.1016/j.fuproc.2022.107577
Mockenhaupt, B.; Schwiderowski, P.; Jelic, J.; Studt, F.; Muhler, M.; Behrens, M. (2023). High-Pressure Pulsing of Ammonia Results in Carbamate as Strongly Inhibiting Adsorbate of Methanol Synthesis over Cu/ZnO/AlO. The Journal of Physical Chemistry C, 127 (7), 3497–3505. doi:10.1021/acs.jpcc.2c08823
Nazari, P.; Bäuerle, R.; Bäuerle, R.; Zimmermann, J.; Melzer, C.; Schwab, C.; Smith, A.; Kowalsky, W.; Aghassi-Hagmann, J.; Hernandez-Sosa, G.; Lemmer, U. (2023). Piezoresistive Free‐standing Microfiber Strain Sensor for High‐resolution Battery Thickness Monitoring. Advanced Materials, 35 (21), Art.-Nr.: 2212189. doi:10.1002/adma.202212189
Niethammer, B.; Arnold, U.; Sauer, J. (2023). Suppressing the aromatic cycle of the dimethyl ether to hydrocarbons reaction on zeolites. Applied Catalysis A: General, 651, Art.-Nr.: 119021. doi:10.1016/j.apcata.2023.119021
Parku, G. K.; Krutof, A.; Funke, A.; Richter, D.; Dahmen, N. (2023). Using Fractional Condensation to Optimize Aqueous Pyrolysis Condensates for Downstream Microbial Conversion. Industrial and Engineering Chemistry Research, 62 (6), 2792–2803. doi:10.1021/acs.iecr.2c03598
Perret, L.; Boukis, N.; Sauer, J. (2023). Influence of Increased Cell Densities on Product Ratio and Productivity in Syngas Fermentation. Industrial & Engineering Chemistry Research, 62 (35), 13799–13810. doi:10.1021/acs.iecr.3c01911
Phan Dang, C.-T.; Tam, N. M.; Huynh, T.-N.; Trung, N. T. (2023). Revisiting conventional noncovalent interactions towards a complete understanding: from tetrel to pnicogen, chalcogen, and halogen bond. RSC Advances, 13 (45), 31507–31517. doi:10.1039/d3ra06078k
Plessow, P. N.; Studt, F. (2023). Cooperative Effects of Active Sites in the MTO Process: A Computational Study of the Aromatic Cycle in H-SSZ-13. ACS Catalysis, 13 (1), 624–632. doi:10.1021/acscatal.2c04694
Pola, L.; Collado, S.; Wörner, M.; Hornung, U.; Díaz, M. (2023). Eutectic solvents for the valorisation of the aqueous phase from hydrothermally liquefied black liquor. Journal of Environmental Chemical Engineering, 11 (5), Art.-Nr.: 111040. doi:10.1016/j.jece.2023.111040
Pola, L.; Collado, S.; Wörner, M.; Hornung, U.; Díaz, M. (2023). Valorisation of the residual aqueous phase from hydrothermally liquefied black liquor by persulphate-based advanced oxidation. Chemosphere, 339, Art.-Nr.: 139737. doi:10.1016/j.chemosphere.2023.139737
Potter, M. E.; Amsler, J.; Spiske, L.; Plessow, P. N.; Asare, T.; Carravetta, M.; Raja, R.; Cox, P. A.; Studt, F.; Armstrong, L.-M. (2023). Combining Theoretical and Experimental Methods to Probe Confinement within Microporous Solid Acid Catalysts for Alcohol Dehydration. ACS Catalysis, 13 (9), 5955–5968. doi:10.1021/acscatal.3c00352
Ramanathan, E. S.; Chowdhury, C. (2023). Structural and Electronic Properties of Two‐Dimensional Materials: A Machine‐Learning‐Guided Prediction. ChemPhysChem, 24 (21), e202300308. doi:10.1002/cphc.202300308
Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Bernart, S.; Studt, F.; Grunwaldt, J.-D. (2023). Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”. The Journal of Physical Chemistry C, 127 (23), Art.-Nr.: 11419. doi:10.1021/acs.jpcc.3c03075
Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Studt, F.; Grunwaldt, J.-D. (2023). Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT. The Journal of Physical Chemistry C, 127 (6), 3032–3046. doi:10.1021/acs.jpcc.2c07263
Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D. (2023). Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chemical Reviews, 123 (1), 379–444. doi:10.1021/acs.chemrev.2c00495
Scholz, B.; Oshchepkov, A. S.; Papaianina, O.; Ruppenstein, C.; Akhmetov, V. A.; Sharapa, D. I.; Amsharov, K. Y.; Pérez-Ojeda, M. E. (2023). An Indacenopicene‐based Buckybowl Catcher for Recognition of Fullerenes. Chemistry – A European Journal, 29 (70), Art.-Nr.: e202303814. doi:10.1002/chem.202303814
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, 29 (70), Art.-Nr.: e202302778. doi:10.1002/chem.202302778
Semmel, M.; Bogatykh, I.; Steinbach, B.; Sauer, J.; Repke, J.-U.; Salem, O. (2023). Demonstration and experimental model validation of the DME synthesis by reactive distillation in a pilot-scale pressure column. Reaction Chemistry & Engineering, 8, 2309–2322. doi:10.1039/d3re00200d
Semmel, M.; Kerschbaum, M.; Steinbach, B.; Sauer, J.; Salem, O. (2023). Optimized design and techno-economic analysis of novel DME production processes. Reaction Chemistry & Engineering, 8 (11), 2826–2840. doi:10.1039/d3re00333g
Sheikh, K. A.; Drexler, R.; Zevaco, T. A.; Sauer, J.; Bender, M. (2023). Hydrogenation of Carbon Monoxide in the Liquid Phase: Influence of the Synthetic Methods on Characteristics and Activity of Hydrogenation Catalysts. Catalysts, 13 (3), 482. doi:10.3390/catal13030482
Sheikh, K. A.; Zevaco, T. A.; Jelic, J.; Studt, F.; Bender, M. (2023). Efficient noble metal promoted bimetallic cobalt catalysts in the selective synthesis of acetaldehyde dimethyl acetal. RSC Advances, 13 (33), 22698–22709. doi:10.1039/D3RA02784H
Shirsath, A. B.; Mokashi, M.; Lott, P.; Müller, H.; Pashminehazar, R.; Sheppard, T.; Tischer, S.; Maier, L.; Grunwaldt, J.-D.; Deutschmann, O. (2023). Soot Formation in Methane Pyrolysis Reactor: Modeling Soot Growth and Particle Characterization. The Journal of Physical Chemistry A, 127 (9), 2136–2147. doi:10.1021/acs.jpca.2c06878
Vadarlis, A. A.; Angeli, S. D.; Lemonidou, A. A.; Boukis, N.; Sauer, J. (2023). Catalytic Biomass Gasification in Supercritical Water and Product Gas Upgrading. ChemBioEng Reviews, 10 (4), 370–398. doi:10.1002/cben.202300007
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, 7, 4486–4504. doi:10.1039/D3SE00371J
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Kumar, N.; Eränen, K.; Wärnå, J.; Lassfolk, R.; Simakova, I. L.; Prosvirin, I. P.; Peurla, M.; Lindén, J. K. M.; Huhtinen, H.; Paturi, P.; Doronkin, D. E.; Murzin, D. Y. (2023). Interactions between Iron and Nickel in Fe–Ni Nanoparticles on Y Zeolite for Co-Processing of Fossil Feedstock with Lignin-Derived Isoeugenol. ACS Applied Nano Materials, 6 (12), 10064–10077. doi:10.1021/acsanm.3c00620
Vajglová, Z.; Gauli, B.; Mäki-Arvela, P.; Simakova, I. L.; Kumar, N.; Eränen, K.; Tirri, T.; Lassfolk, R.; Peurla, M.; Doronkin, D. E.; Murzin, D. Y. (2023). Co-processing of fossil feedstock with lignin-derived model compound isoeugenol over Fe-Ni/H-Y-5.1 catalysts. Journal of Catalysis, 421, 101–116. doi:10.1016/j.jcat.2023.03.016
Vergara, T.; Gómez, D.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Concepción, P.; Jiménez, R.; Karelovic, A. (2023). Combined role of Ce promotion and TiO2 support improves CO2 hydrogenation to methanol on Cu catalysts: Interplay between structure and kinetics. Journal of Catalysis, 426, 200–213. doi:10.1016/j.jcat.2023.07.017
Vergara, T.; Gómez, D.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Jiménez, R.; Karelovic, A. (2023). Disclosing the Reaction Mechanism of CO 2 Hydrogenation to Methanol over CuCeO x /TiO 2 : A Combined Kinetic, Spectroscopic, and Isotopic Study. ACS Catalysis, 13 (22), 14699–14715. doi:10.1021/acscatal.3c04243
Wan, S.; Häber, T.; Lott, P.; Suntz, R.; Deutschmann, O. (2023). Experimental investigation of NO reduction by H2 on Pd using planar laser-induced fluorescence. Applications in Energy and Combustion Science, 16, Art.-Nr.: 100229. doi:10.1016/j.jaecs.2023.100229
Wang, Y.; Qin, S.; Denisov, N.; Kim, H.; Bad’ura, Z.; Sarma, B. B.; Schmuki, P. (2023). Reactive Deposition Versus Strong Electrostatic Adsorption (SEA): A Key to Highly Active Single Atom Co‐Catalysts in Photocatalytic H Generation. Advanced Materials, 35 (32), Art.-Nr.: 2211814. doi:10.1002/adma.202211814
Wollak, B.; Espinoza, D.; Dippel, A.-C.; Sturm, M.; Vrljic, F.; Gutowski, O.; Nielsen, I. G.; Sheppard, T. L.; Korup, O.; Horn, R. (2023). Catalytic reactor for operando spatially resolved structure–activity profiling using high-energy X-ray diffraction. Journal of Synchrotron Radiation, 30 (Pt 3), 571–581. doi:10.1107/S1600577523001613
Wörner, M. (2023). Maximum spreading of an impacting drop. International Journal of Multiphase Flow, 167, Artkl.Nr.: 104528. doi:10.1016/j.ijmultiphaseflow.2023.104528
Wu, S.-M.; Hwang, I.; Osuagwu, B.; Will, J.; Wu, Z.; Sarma, B. B.; Pu, F.-F.; Wang, L.-Y.; Badura, Z.; Zoppellaro, G.; Spiecker, E.; Schmuki, P. (2023). Fluorine Aided Stabilization of Pt Single Atoms on TiO Nanosheets and Strongly Enhanced Photocatalytic H Evolution. ACS Catalysis, 13, 33–41. doi:10.1021/acscatal.2c04481
Zakgeym, D.; Hofmann, J. D.; Maurer, L. A.; Auer, F.; Müller, K.; Wolf, M.; Wasserscheid, P. (2023). Better through oxygen functionality? The benzophenone/dicyclohexylmethanol LOHC-system. Sustainable Energy & Fuels, 7, 1213–1222. doi:10.1039/D2SE01750D
Zhang, R.; Cao, Y.; Doronkin, D. E.; Ma, M.; Dong, F.; Zhou, Y. (2023). Single-atom dispersed Zn-N3 active sites bridging the interlayer of g-C3N4 to tune NO oxidation pathway for the inhibition of toxic by-product generation. Chemical Engineering Journal, 454 (Part 1), Art.-Nr.: 140084. doi:10.1016/j.cej.2022.140084
Zhao, D.; Gao, M.; Tian, X.; Doronkin, D. E.; Han, S.; Grunwaldt, J.-D.; Rodemerck, U.; Linke, D.; Ye, M.; Jiang, G.; Jiao, H.; Kondratenko, E. V. (2023). Effect of Diffusion Constraints and ZnOx Speciation on Nonoxidative Dehydrogenation of Propane and Isobutane over ZnO-Containing Catalysts. ACS Catalysis, 13, 3356–3369. doi:10.1021/acscatal.2c05704
Zimmermann, J.; Raffelt, K.; Dahmen, N. (2023). Suppressing the formation of N-heteroaromatics during hydrothermal liquefaction of proteinaceous model feedstock. Biomass Conversion and Biorefinery. doi:10.1007/s13399-023-04553-7
Zimmermann, R. T.; Weber, S.; Bremer, J.; Idakiev, V.; Pashminehazar, R.; Sheppard, T. L.; Mörl, L.; Sundmacher, K. (2023). Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal, 457, Art.-Nr.: 140921. doi:10.1016/j.cej.2022.140921
Conference Papers
Alves, V. R. S.; Meyer, D. C.; Moreira, R.; Sousa, A. P. S.; Ushima, A. H.; Raffelt, K. (2023). Thermochemical Biomass Conversion Process in a Small-Scale Fluidized Bed Reactor: Fast Pyrolysis of Eucalyptus Wood and Gasification of Sugarcane Straw. European Biomass Conference and Exhibition Proceedings, 527 – 529, ETA-Florence Renewable Energies.
Arnold, U.; Drexler, M.; Fuchs, C.; Niethammer, B.; Sauer, J. (2023). Production of fuels from renewables via methanol. CogMob 2023, IEEE 2nd International Conference on Cognitive Mobility, Budapest, Hungary, October 19-20, 2023, Proceedings, 125–129, Institute of Electrical and Electronics Engineers (IEEE).
Gaur, A.; Paripsa, S.; Förste, F.; Doronkin, D.; Malzer, W.; Schlesiger, C.; Kanngießer, B.; Lützenkirchen-Hecht, D.; Welter, E.; Grunwaldt, J.-D. (2023). Metadata Fields and Quality Criteria - XAS Reference Database under DAPHNE4NFDI. Proceedings of the Conference on Research Data Infrastructure, 4 S., Technische Informationsbibliothek Open Publishing (TIB Open Publishing). doi:10.52825/CoRDI.v1i.258
Ioannidou, G.; Drexler, M.; Arnold, U.; Sauer, J.; Lemonidou, A. (2023). A sustainable catalytic process for the production of butadiene from waste biomass intermediates. KIT Science Week: Transforming towards a sustainable society – challenges and solutions, Karlsruhe.
Muthukumar, K. V.; Ates, C.; Okraschevski, M.; Bürkle, N.; Aguirre Bermudez, D. M.; Haber, M.; Koch, R.; Bauer, H.-J.; Düll, A.; Öhl, F.; Häber, T.; Deutschmann, O. (2023). Interface enhancement with textured surfaces in thin-film flows. 17th SPHERIC International Workshop.
Telis, N. C.; Schmitt, C. C.; Raffelt, K.; Dahmen, N. (2023). Performance Evaluation of a Niobium-Based Pellet Catalyst: Hydrodeoxygenation of Bio-Oil in a Trickle Bed Reactor. European Biomass Conference and Exhibition Proceedings, 1007 – 1011, ETA-Florence Renewable Energies.
Reports/Preprints
Borchers, M.; Förster, J.; Thrän, D.; Beck, S.; Thoni, T.; Korte, K.; Gawel, E.; Markus, T.; Schaller, R.; Rhoden, I.; Chi, Y.; Dahmen, N.; Dittmeyer, R.; Dolch, T.; Dold, C.; Herbst, M.; Heß, D.; Kalhori, A.; Koop-Jakobsen, K.; Li, Z.; Oschlies, A.; Reusch, T. B. H.; Sachs, T.; Schmidt-Hattenberger, C.; Stevenson, A.; Wu, J.; Yeates, C.; Mengis, N. (2023). A Comprehensive Assessment of Carbon Dioxide Removal Options for Germany. Authorea, Inc. doi:10.22541/essoar.170110442.26802720/v1
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/1000159935
Presentations
Arnold, U.; Drexler, M.; Fuchs, C.; Niethammer, B.; Sauer, J. (2023). Alternative fuels from renewables: The role of methanol. Helmholtz Energy Conference (2023), Koblenz, Germany, June 12–13, 2023.
Arnold, U.; Drexler, M.; Fuchs, C.; Niethammer, B.; Sauer, J. (2023). Paraffinic fuels from methanol. 11th International Conference Fuel Science - From Production to Propulsion (2023), Aachen, Germany, May 23–25, 2023.
Dutzi, J.; Boukis, N.; Sauer, J. (2023). Gasification of contaminated biomass under the conditions of supercritical water. 31st European Biomass Conference and Exhibition (EUBCE 2023), Bologna, Italy, June 5–8, 2023.
Fuchs, C.; Arnold, U.; Sauer, J. (2023). Production of gasoline and jet-fuel by heterogeneously catalyzed co-oligomerization of methanol-based olefins. Helmholtz Energy Conference (2023), Koblenz, Germany, June 12–13, 2023.