Selected Publications

2024

Journal Articles

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

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

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

Chowdhury, A. G.; Arnold, U.; Garbev, K.; Bender, M.; Sauer, J. (2024). Direct dehydrogenation of methanol to formaldehyde over ZnO–SiO

_{2}

-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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Suarez Orduz, H. A.; Bugarin, L.; Heck, S.-L.; Dolcet, P.; Casapu, M.; Grunwaldt, J.-D.; Glatzel, P. (2024). L

_{3}

-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

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

_{2}

-SCR of NO

_{x}

by Operando XANES and DRIFTS. Catalysis Science & Technology. doi:10.1039/D4CY00574K

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Münzer, P.; Arnold, U.; Sauer, J. (2024). Process Design for the Directly Coupled Production of Methanol and Formaldehyde Based on CO

_{2}

. Chemie Ingenieur Technik. doi:10.1002/cite.202300183

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

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

Baehr, C.; Meyer Muñoz, T.; Raffelt, K.; Dahmen, N. (2024). Viscosity Reduction of Fast Pyrolysis Bio-Oil by Using CO

_{2}

as an Additive. Energy & Fuels, 38 (7), 6012–6019. doi:10.1021/acs.energyfuels.3c04201

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

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

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

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

_{2}

Hydrogenation to Methanol over Single‐Site Zirconium on Amorphous Silica. Angewandte Chemie International Edition, 63 (4). doi:10.1002/anie.202319538

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

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

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

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

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

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

^{2 +}

on propane non-oxidative dehydrogenation over supported Co/ZrO

_{2}

catalysts. Journal of Catalysis, 432, Art.-Nr.: 115440. doi:10.1016/j.jcat.2024.115440

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

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

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

Smitshuysen, T. E. L.; Lützen, M.; Zimina, A.; Sheppard, T. L.; Jakobsen, H. H.; Chorkendorff, I.; Damsgaard, C. D. (2024). Using CoCu

_{2}

Ga/SiO

_{2}

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

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

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

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

_{x}

on zirconia is highly active for high temperature methanol synthesis. Journal of Catalysis, 431, Art.-Nr.: 115389. doi:10.1016/j.jcat.2024.115389

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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). 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

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

_{2}

Hydrogenation to Methanol over Single‐Site Zirconium on Amorphous Silica. Angewandte Chemie - International Edition, 63 (4), Art.Nr.: e202312292. doi:10.1002/anie.202312292

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

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

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

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

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

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

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

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

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

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

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, 29 (69), e202301840. 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

_{2}

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 Nb

_{2}

_{5}

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

^{3 +}

-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, 62 (39), Art.-Nr.: e202306514. doi:10.1002/anie.202306514

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, 7, 4486–4504. 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

_{2}

Generation. Advanced Materials, 35 (32), 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, 8, 2309–2322. 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

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

_{2}

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, 13, 2349–2359. 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, 8 (11), 10591–10599. 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/Al

_{2}

_{3}

. 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

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

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

_{2}

Hydrogenation to Methanol over Cu

_{2}

O Nanocubes Supported on ZnO. Journal of the American Chemical Society, 145 (5), 3016–3030. doi:10.1021/jacs.2c11540

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

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 Pd

_{4}

_{4}

octagons built up by Pd

_{2}

_{2}

(NO)

_{2}

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

_{2}

Nanosheets and Strongly Enhanced Photocatalytic H

_{2}

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

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.

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

Rüde, T.; Lu, Y.; Anschütz, L.; Blasius, M.; Wolf, M.; Preuster, P.; Wasserscheid, P.; Geißelbrecht, M. (2022). Performance of Continuous Hydrogen Production from Perhydro Benzyltoluene by Catalytic Distillation and Heat Integration Concepts with a Fuel Cell. Energy Technology, 11 (3), Art.-Nr.: 2201366. doi:10.1002/ente.202201366

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

Semmel, M.; Steiner, L.; Bontrup, M.; Sauer, J.; Salem, O. (2022). Catalyst screening and reaction kinetics of liquid phase DME synthesis under reactive distillation conditions. Chemical Engineering Journal, 455, Art.Nr. 140525. doi:10.1016/j.cej.2022.140525

Freund, H.; Sauer, J.; Wachsen, O. (2022). Wie verändert sich die Reaktions‐ und Reaktortechnik durch die Elektrifizierung chemischer Prozesse?. Chemie Ingenieur Technik, 94 (5), 615. doi:10.1002/cite.202270502

Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Pandit, L.; Grunwaldt, J.-D.; Zhang, L.; Xu, H.; Sun, J. (2022). Probing the Nature of Zinc in Copper‐Zinc‐Zirconium Catalysts by Operando Spectroscopies for CO2 Hydrogenation to Methanol. Angewandte Chemie International Edition, 62 (7), Art.Nr. e202216803. doi:10.1002/anie.202216803

Borchers, M.; Lott, P.; Deutschmann, O. (2022). Selective Catalytic Reduction with Hydrogen for Exhaust gas after-treatment of Hydrogen Combustion Engines. Topics in Catalysis, 66 (13-14), 973–984. doi:10.1007/s11244-022-01723-1

Farpón, M. G.; Henao, W.; Plessow, P. N.; Andrés, E.; Arenal, R.; Marini, C.; Agostini, G.; Studt, F.; Prieto, G. (2022). Rhodium Single‐Atom Catalyst Design through Oxide Support Modulation for Selective Gas‐Phase Ethylene Hydroformylation. Angewandte Chemie - International Edition, 62 (1), Art.-Nr.: e202214048. doi:10.1002/anie.202214048

Zimmermann, J.; Chiaberge, S.; Iversen, S. B.; Raffelt, K.; Dahmen, N. (2022). Sequential Extraction and Characterization of Nitrogen Compounds after Hydrothermal Liquefaction of Sewage Sludge. Energy & Fuels, 36 (23), 14292–14303. doi:10.1021/acs.energyfuels.2c02622

Chen, S.; Huang, X.; Schild, D.; Wang, D.; Kübel, C.; Behrens, S. (2022). Pd–In intermetallic nanoparticles with high catalytic selectivity for liquid-phase semi-hydrogenation of diphenylacetylene. Nanoscale, 14 (47), 17661–17669. doi:10.1039/D2NR03674F

Perret, L.; Boukis, N.; Sauer, J. (2022). Methods of reaction and reactor engineering to adjust product ratios and increase efficiency of syngas fermentation with Clostridium ljungdahlii. Chemie Ingenieur Technik, 94 (9), 1252. doi:10.1002/cite.202255034

Seitz, L. C.; Doronkin, D. E.; Hauschild, D.; Casapu, M.; Zengel, D.; Zimina, A.; Kreikemeyer-Lorenzo, D.; Blum, M.; Yang, W.; Grunwaldt, J.-D.; Heske, C.; Weinhardt, L. (2022). Direct Observation of Reactant, Intermediate, and Product Species for Nitrogen Oxide-Selective Catalytic Reduction on Cu-SSZ-13 Using In Situ Soft X-ray Spectroscopy. The Journal of Physical Chemistry C, 126 (49), 20998–21009. doi:10.1021/acs.jpcc.2c04736

Kuhn, C.; Düll, A.; Rohlfs, P.; Tischer, S.; Börnhorst, M.; Deutschmann, O. (2022). Iron as recyclable energy carrier: Feasibility study and kinetic analysis of iron oxide reduction. Applications in Energy and Combustion Science, 12, Art.-Nr.: 100096. doi:10.1016/j.jaecs.2022.100096

Treu, P.; Huber, P.; Plessow, P. N.; Studt, F.; Saraçi, E. (2022). Lewis acid Sn-Beta catalysts for the cycloaddition of isoprene and methyl acrylate: a greener route to bio-derived monomers. Catalysis Science & Technology, 12 (24), 7439–7447. doi:10.1039/D2CY01337A

Sun, X.; Yu, J.; Cao, S.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Xu, H.; Li, S.; Liu, Y.; Sun, J. (2022). In Situ Investigations on Structural Evolutions during the Facile Synthesis of Cubic α-MoC

_{1 - x}

Catalysts. Journal of the American Chemical Society, 144 (49), 22589–22598. doi:10.1021/jacs.2c08979

Guo, B.; Hornung, U.; Zhang, S.; Dahmen, N. (2022). Techno‐Economic Assessment of a Microalgae Biorefinery. Chemie Ingenieur Technik, 95 (6), 950–954. doi:10.1002/cite.202200007

Denisov, N.; Qin, S.; Will, J.; Vasiljevic, B. N.; Skorodumova, N. V.; Pašti, I. A.; Sarma, B. B.; Osuagwu, B.; Yokosawa, T.; Voss, J.; Wirth, J.; Spiecker, E.; Schmuki, P. (2022). Light‐induced agglomeration of single‐atom platinum in photocatalysis. Advanced Materials, 35 (5), Art.-Nr.: 2206569. doi:10.1002/adma.202206569

Fan, Y.; Hoffmann, A.; Hornung, U.; Raffelt, K.; Zevaco, T. A.; Dahmen, N. (2022). Hydrothermal, catalyst-free production of a cyclic dipeptide from lysine. Journal of Analytical and Applied Pyrolysis, 168, Art.-Nr.: 105792. doi:10.1016/j.jaap.2022.105792

Visser, N. L.; Daoura, O.; Plessow, P. N.; Smulders, L. C. J.; Rijk, J. W. de; de Rijk, J. W.; Stewart, J. A.; Vandegehuchte, B. D.; Studt, F.; van der Hoeven, J. E. S. (2022). Particle Size Effects of Carbon Supported Nickel Nanoparticles for High Pressure CO 2 Methanation. ChemCatChem, 14 (22), Art.Nr. e202200665. doi:10.1002/cctc.202200665

Aitbekova, A.; Zhou, C.; Stone, M. L.; Lezama-Pacheco, J. S.; Yang, A.-C.; Hoffman, A. S.; Goodman, E. D.; Huber, P.; Stebbins, J. F.; Bustillo, K. C.; Ercius, P.; Ciston, J.; Bare, S. R.; Pleßow, P. N.; Cargnello, M. (2022). Templated encapsulation of platinum-based catalysts promotes high-temperature stability to 1,100 °C. Nature Materials, 21 (11), 1290–1297. doi:10.1038/s41563-022-01376-1

Borchers, M.; Thrän, D.; Chi, Y.; Dahmen, N.; Dittmeyer, R.; Dolch, T.; Dold, C.; Förster, J.; Herbst, M.; Heß, D.; Kalhori, A.; Koop-Jakobsen, K.; Li, Z.; Mengis, N.; Reusch, T. B. H.; Rhoden, I.; Sachs, T.; Schmidt-Hattenberger, C.; Stevenson, A.; Thoni, T.; Wu, J.; Yeates, C. (2022). Scoping carbon dioxide removal options for Germany–What is their potential contribution to Net-Zero CO

_{2}

?. Frontiers in Climate, 4. doi:10.3389/fclim.2022.810343

Marchuk, V.; Huang, X.; Murzin, V.; Grunwaldt, J.-D.; Doronkin, D. E. (2022). Operando QEXAFS Study of Pt–Fe Ammonia Slip Catalysts During Realistic Driving Cycles. Topics in Catalysis, 66 (13-14), 825–838. doi:10.1007/s11244-022-01718-y

Fonseca, F. G.; Anca-Couce, A.; Funke, A.; Dahmen, N. (2022). Challenges in Kinetic Parameter Determination for Wheat Straw Pyrolysis. Energies, 15 (19), Art.-Nr.: 7240. doi:10.3390/en15197240

Betz, M.; Fuchs, C.; Zevaco, T. A.; Arnold, U.; Sauer, J. (2022). Production of hydrocarbon fuels by heterogeneously catalyzed oligomerization of ethylene: Tuning of the product distribution. Biomass and Bioenergy, 166, Art.-Nr.: 106595. doi:10.1016/j.biombioe.2022.106595

Perret, L.; Lacerda de Oliveira Campos, B.; Herrera Delgado, K.; Zevaco, T. A.; Neumann, A.; Sauer, J. (2022). CO

_{x}

Fixation to Elementary Building Blocks: Anaerobic Syngas Fermentation vs. Chemical Catalysis. Chemie Ingenieur Technik, 94 (11), 1667–1687. doi:10.1002/cite.202200153

Tikhonov, D. S.; Scutelnic, V.; Sharapa, D. I.; Krotova, A. A.; Dmitrieva, A. V.; Obenchain, D. A.; Schnell, M. (2022). Structures of the (Imidazole)nH+ . Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations. Structural Chemistry, 34 (1), 203–213. doi:10.1007/s11224-022-02053-4

Schumann, M.; Grunwaldt, J.-D.; Jensen, A. D.; Christensen, J. M. (2022). Investigations of mechanism, surface species and support effects in CO hydrogenation over Rh. Journal of Catalysis, 414, 90–100. doi:10.1016/j.jcat.2022.08.031

Czioska, S.; Ehelebe, K.; Geppert, J.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Mayerhöfer, B.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D. (2022). Heating up the OER: Investigation of IrO₂ OER Catalysts as Function of Potential and Temperature. ChemElectroChem, 9 (19), e202200514. doi:10.1002/celc.202200514

Kreitz, B.; Lott, P.; Bae, J.; Blöndal, K.; Angeli, S.; Ulissi, Z. W.; Studt, F.; Goldsmith, C. F.; Deutschmann, O. (2022). Detailed Microkinetics for the Oxidation of Exhaust Gas Emissions through Automated Mechanism Generation. ACS Catalysis, 12 (18), 11137–11151. doi:10.1021/acscatal.2c03378

Keller, K.; Wan, S.; Borchers, M.; Lott, P.; Suntz, R.; Deutschmann, O.; Wan, S. (2022). Treating NOx emission of hydrogen fueled combustion engines by NOx storage and reduction catalysts: A transient kinetic study including PLIF measurements. Proceedings of the Combustion Institute, 39 (4), 4247–4256. doi:10.1016/j.proci.2022.07.027

Popov, I.; Bügel, P.; Kozlowska, M.; Fink, K.; Studt, F.; Sharapa, D. I. (2022). Analytical Model of CVD Growth of Graphene on Cu(111) Surface. Nanomaterials, 12 (17), Art.Nr. 2963. doi:10.3390/nano12172963

Weyhing, T.; Koch, T.; Wagner, U.; Dahmen, N. (2022). G40 - Ein Schritt zu einem CO

_{2}

-neutralen Benzinkraftstoff. MTZ - Motortechnische Zeitschrift, 83 (9), 30–36. doi:10.1007/s35146-022-0852-4

Lacerda de Oliveira Campos, B.; John, K.; Beeskow, P.; Herrera Delgado, K.; Pitter, S.; Dahmen, N.; Sauer, J. (2022). A Detailed Process and Techno-Economic Analysis of Methanol Synthesis from H₂ and CO₂ with Intermediate Condensation Steps. Processes, 10 (8), Art.-Nr.: 1535. doi:10.3390/pr10081535

Barberis, L.; Hakimioun, A. H.; Plessow, P. N.; Visser, N. L.; Stewart, J. A.; Vandegehuchte, B. D.; Studt, F.; Jongh, P. E. de. (2022). Competition between reverse water gas shift reaction and methanol synthesis from CO 2 : influence of copper particle size. Nanoscale, 14 (37), 13551–13560. doi:10.1039/d2nr02612k

Das, S.; Pashminehazar, R.; Sharma, S.; Weber, S.; Sheppard, T. L. (2022). New Dimensions in Catalysis Research with Hard X‐Ray Tomography. Chemie Ingenieur Technik, 94 (11), 1591–1610. doi:10.1002/cite.202200082

Treu, P.; Sarma, B. B.; Grunwaldt, J.-D.; Saraçi, E. (2022). Oxidative cleavage of vicinal diols catalyzed by monomeric Fe‐sites inside MFI zeolite. ChemCatChem, 14 (21), e202200993. doi:10.1002/cctc.202200993