Recent publications and presentations

Recent publications and presentations are listed here. For further information on other publications and presentations see the subitems.

Publications


  1. 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
    Zhang, R.; Cao, Y.; Doronkin, D. E.; Ma, M.; Dong, F.; Zhou, Y.
    2023. Chemical Engineering Journal, 454 (Part 1), Art.-Nr.: 140084. doi:10.1016/j.cej.2022.140084
  2. Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
    Sarma, B. B.; Jelic, J.; Neukum, D.; Doronkin, D. E.; Huang, X.; Studt, F.; Grunwaldt, J.-D.
    2023. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.2c07263
  3. PdCl(NO) – an iconic compound with corrugated Pd4Cl4 octagons built up by Pd2Cl2(NO)2 moieties
    Evers, J.; Klapötke, T. M.; Beck, W.; Völkl, M. B. R.; Oehlinger, G.; Köppe, R.; Zimina, A.; Wolf, S.
    2023. Zeitschrift für anorganische und allgemeine Chemie. doi:10.1002/zaac.202200337
  4. An Advanced Characterization Toolbox for Selective Olefin Oxidation Catalysts
    Klag, L.; Sheppard, T. L.; Grunwaldt, J.-D.
    2023. ChemCatChem. doi:10.1002/cctc.202201276Full textFull text of the publication as PDF document
  5. Fluorine Aided Stabilization of Pt Single Atoms on TiO Nanosheets and Strongly Enhanced Photocatalytic H Evolution
    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. ACS Catalysis, 13, 33–41. doi:10.1021/acscatal.2c04481
  6. Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools
    Sarma, B. B.; Maurer, F.; Doronkin, D. E.; Grunwaldt, J.-D.
    2023. Chemical Reviews, 123 (1), 379–444. doi:10.1021/acs.chemrev.2c00495Full textFull text of the publication as PDF document
  7. New Dimensions in Catalysis Research with Hard X‐Ray Tomography
    Das, S.; Pashminehazar, R.; Sharma, S.; Weber, S.; Sheppard, T. L.
    2022. Chemie Ingenieur Technik, 94 (11), 1591–1610. doi:10.1002/cite.202200082Full textFull text of the publication as PDF document
  8. Oxidative cleavage of vicinal diols catalyzed by monomeric Fe‐sites inside MFI zeolite
    Treu, P.; Sarma, B. B.; Grunwaldt, J.-D.; Saraçi, E.
    2022. ChemCatChem, 14 (21), e202200993. doi:10.1002/cctc.202200993Full textFull text of the publication as PDF document
  9. Heating up the OER: Investigation of IrO 2 OER Catalysts as Function of Potential and Temperature**
    Czioska, S.; Ehelebe, K.; Geppert, J.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Mayerhöfer, B.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D.
    2022. ChemElectroChem, 9 (19), e202200514. doi:10.1002/celc.202200514Full textFull text of the publication as PDF document
  10. Investigations of mechanism, surface species and support effects in CO hydrogenation over Rh
    Schumann, M.; Grunwaldt, J.-D.; Jensen, A. D.; Christensen, J. M.
    2022. Journal of Catalysis, 414, 90–100. doi:10.1016/j.jcat.2022.08.031Full textFull text of the publication as PDF document
  11. Pt Single Atoms on TiO 2 Polymorphs—Minimum Loading with a Maximized Photocatalytic Efficiency
    Qin, S.; Denisov, N.; Sarma, B. B.; Hwang, I.; Doronkin, D. E.; Tomanec, O.; Kment, S.; Schmuki, P.
    2022. Advanced Materials Interfaces, 9 (22), Art.-Nr.: 2200808. doi:10.1002/admi.202200808Full textFull text of the publication as PDF document
  12. Microkinetic Analysis of the Oxygen Evolution Performance at Different Stages of Iridium Oxide Degradation
    Geppert, J.; Röse, P.; Czioska, S.; Escalera-López, D.; Boubnov, A.; Saraçi, E.; Cherevko, S.; Grunwaldt, J.-D.; Krewer, U.
    2022. Journal of the American Chemical Society, 144 (29), 13205–13217. doi:10.1021/jacs.2c03561Full textFull text of the publication as PDF document
  13. Understanding the multiple interactions in vanadium-based SCR catalysts during simultaneous NO and soot abatement
    Zheng, L.; Casapu, M.; Grunwaldt, J.-D.
    2022. Catalysis Science & Technology, 12 (12), 3969–3981. doi:10.1039/d2cy00432aFull textFull text of the publication as PDF document
  14. Probing the electronic nature of Co centers forming the planar ring in octa-nuclear Co complexes using X-ray absorption spectroscopy
    Sarmah, N.; Sharma, D.; Mehta, B. K.; Shrivastava, B. D.; Das, B. K.; Zimina, A.; Gaur, A.
    2022. Journal of Molecular Structure, 1263, Art.-Nr.: 133125. doi:10.1016/j.molstruc.2022.133125
  15. Complementary operando insights into the activation of multicomponent selective propylene oxidation catalysts
    Stehle, M.; Gaur, A.; Weber, S.; Sheppard, T. L.; Thomann, M.; Fischer, A.; Grunwaldt, J.-D.
    2022. Journal of catalysis, 408, 339–355. doi:10.1016/j.jcat.2021.08.053Full textFull text of the publication as PDF document
  16. Exploring Catalyst Dynamics in a Fixed Bed Reactor by Correlative Operando Spatially-Resolved Structure-Activity Profiling
    Wollak, B.; Doronkin, D. E.; Espinoza, D.; Sheppard, T.; Korup, O.; Schmidt, M.; Alizadefanaloo, S.; Rosowski, F.; Schroer, C.; Grunwaldt, J.-D.; Horn, R.
    2022. Journal of catalysis, 408, 372–387. doi:10.1016/j.jcat.2021.08.029Full textFull text of the publication as PDF document
  17. Probing the Nature of Zinc in Copper‐Zinc‐Zirconium Catalysts by Operando Spectroscopies for CO2 Hydrogenation to Methanol
    Yang, M.; Yu, J.; Zimina, A.; Sarma, B. B.; Pandit, L.; Grunwaldt, J.-D.; Zhang, L.; Xu, H.; Sun, J.
    2022. Angewandte Chemie International Edition. doi:10.1002/anie.202216803
  18. 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
    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. The Journal of Physical Chemistry C, 126 (49), 20998–21009. doi:10.1021/acs.jpcc.2c04736
  19. Lewis acid Sn-Beta catalysts for the cycloaddition of isoprene and methyl acrylate: a greener route to bio-derived monomers
    Treu, P.; Huber, P.; Plessow, P. N.; Studt, F.; Saraçi, E.
    2022. Catalysis Science & Technology, 12 (24), 7439–7447. doi:10.1039/D2CY01337AFull textFull text of the publication as PDF document
  20. In Situ Investigations on Structural Evolutions during the Facile Synthesis of Cubic α-MoC Catalysts
    Sun, X.; Yu, J.; Cao, S.; Zimina, A.; Sarma, B. B.; Grunwaldt, J.-D.; Xu, H.; Li, S.; Liu, Y.; Sun, J.
    2022. Journal of the American Chemical Society, 144 (49), 22589–22598. doi:10.1021/jacs.2c08979
  21. Light‐induced agglomeration of single‐atom platinum in photocatalysis
    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. Advanced Materials, Art.-Nr.: 2206569. doi:10.1002/adma.202206569
  22. Operando QEXAFS Study of Pt–Fe Ammonia Slip Catalysts During Realistic Driving Cycles
    Marchuk, V.; Huang, X.; Murzin, V.; Grunwaldt, J.-D.; Doronkin, D. E.
    2022. Topics in Catalysis. doi:10.1007/s11244-022-01718-yFull textFull text of the publication as PDF document
  23. Dynamics of the Reversible Inhibition during Methane Oxidation on Bimetallic Pd‐Pt Catalysts Studied by Modulation‐Excitation XAS and DRIFTS
    Boubnov, A.; Gremminger, A.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D.
    2022. ChemCatChem. doi:10.1002/cctc.202200573
  24. Catalytic Profile Reactor for Multimodal Operando Measurements during Periodic Operation
    Espinoza, D. A.; Wollak, B.; Sheppard, T.; Dippel, A.-C.; Sturm, M.; Gutowski, O.; Schmidt, M.; Korup, O.; Horn, R.
    2022. ChemCatChem, Art.: e202200337. doi:10.1002/cctc.202200337
  25. Synchrotron PXRD deconvolutes nickel particle and support changes in Ni/ZrO methanation catalysts
    Schulte, M.; Weber, S.; Klag, L.; Grunwaldt, J.-D.; Sheppard, T. L.
    2022. Catalysis Science & Technology, 12 (20), 6069–6083. doi:10.1039/D2CY00972BFull textFull text of the publication as PDF document
  26. Thermally stable mesoporous tetragonal zirconia through surfactant-controlled synthesis and Si-stabilization
    Abel, K. L.; Weber, S.; Poppitz, D.; Titus, J.; Sheppard, T. L.; Gläser, R.
    2022. RSC Advances, 12 (26), 16875–16885. doi:10.1039/d2ra01459aFull textFull text of the publication as PDF document
  27. Dynamic Structural Evolution of Ceria-Supported Pt Particles: A Thorough Spectroscopic Study
    Wang, J.; Sauter, E.; Nefedov, A.; Heißler, S.; Maurer, F.; Casapu, M.; Grunwaldt, J.-D.; Wang, Y.; Wöll, C.
    2022. The Journal of Physical Chemistry C, 126 (21), 9051–9058. doi:10.1021/acs.jpcc.2c02420
  28. Challenges of green FDCA production from bio‐derived HMF: Overcoming deactivation by concomitant amino acids
    Neukum, D.; Baumgarten, L.; Wüst, D.; Sarma, B. B.; Saraçi, E.; Kruse, A.; Grunwaldt, J.-D.
    2022. ChemSusChem, 15 (13), e202200418. doi:10.1002/cssc.202200418Full textFull text of the publication as PDF document
  29. Controlling Reaction-Induced Loss of Active Sites in ZnOₓ/Silicalite-1 for Durable Nonoxidative Propane Dehydrogenation
    Zhao, D.; Guo, K.; Han, S.; Doronkin, D. E.; Lund, H.; Li, J.; Grunwaldt, J.-D.; Zhao, Z.; Xu, C.; Jiang, G.; Kondratenko, E. V.
    2022. ACS Catalysis, 12 (8), 4608–4617. doi:10.1021/acscatal.1c05778
  30. Operando XAS Study of Pt-Doped CeO2 for the Nonoxidative Conversion of Methane
    Eggart, D.; Huang, X.; Zimina, A.; Yang, J.; Pan, Y.; Pan, X.; Grunwaldt, J.-D.
    2022. ACS Catalysis, 12, 3897–3908. doi:10.1021/acscatal.2c00092Full textFull text of the publication as PDF document
  31. Identifying Performance Descriptors in CO2 Hydrogenation over Iron‐based Catalysts Promoted with Alkali Metals
    Yang, Q.; Kondratenko, V. A.; Petrov, S. A.; Doronkin, D. E.; Saraçi, E.; Lund, H.; Arinchtein, A.; Kraehnert, R.; Skrypnik, A. S.; Matvienko, A. A.; Kondratenko, E. V.
    2022. Angewandte Chemie International Edition, 61 (22), Art.Nr. e202116517. doi:10.1002/anie.202116517
  32. Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation
    Weber, S.; Zimmermann, R. T.; Bremer, J.; Abel, K. L.; Poppitz, D.; Prinz, N.; Ilsemann, J.; Wendholt, S.; Yang, Q.; Pashminehazar, R.; Monaco, F.; Cloetens, P.; Huang, X.; Kübel, C.; Kondratenko, E.; Bauer, M.; Bäumer, M.; Zobel, M.; Gläser, R.; Sundmacher, K.; Sheppard, T. L.
    2022. ChemCatChem, 14 (8), e202101878. doi:10.1002/cctc.202101878Full textFull text of the publication as PDF document
  33. Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation
    Maurer, F.; Beck, A.; Jelic, J.; Wang, W.; Mangold, S.; Stehle, M.; Wang, D.; Dolcet, P.; Gänzler, A. M.; Kübel, C.; Studt, F.; Casapu, M.; Grunwaldt, J.-D.
    2022. ACS catalysis, 12, 2473–2486. doi:10.1021/acscatal.1c04565Full textFull text of the publication as PDF document
  34. Evolution of Hierarchically Porous Nickel Alumina Catalysts Studied by X‐Ray Ptychography
    Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kahnt, M.; Jeromin, A.; Kulkarni, S.; Keller, T. F.; Gläser, R.; Sheppard, T. L.
    2022. Advanced science, 9 (8), 2105432. doi:10.1002/advs.202105432Full textFull text of the publication as PDF document
  35. Using Transient XAS to Detect Minute Levels of Reversible S-O Exchange at the Active Sites of MoS2-Based Hydrotreating Catalysts: Effect of Metal Loading, Promotion, Temperature, and Oxygenate Reactant
    Gaur, A.; Stehle, M.; Serrer, M.-A.; Stummann, M. Z.; La Fontaine, C.; Briois, V.; Grunwaldt, J.-D.; Høj, M.
    2022. ACS catalysis, 12 (1), 633–647. doi:10.1021/acscatal.1c04767Full textFull text of the publication as PDF document
  36. Continuous Synthesis of Cu/ZnO/Al2O3 Nanoparticles in a Co-precipitation Reaction Using a Silicon Based Microfluidic Reactor
    Tofighi, G.; Lichtenberg, H.; Gaur, A.; Wang, W.; Wild, S.; Herrera Delgado, K.; Pitter, S.; Dittmeyer, R.; Grunwaldt, J.-D.; Doronkin, D. E.
    2022. Reaction chemistry & engineering, 7 (3), 730–740. doi:10.1039/D1RE00499AFull textFull text of the publication as PDF document
  37. Versatile in situ/operando Setup for Studying Catalysts by X-Ray Absorption Spectroscopy under Demanding and Dynamic Reaction Conditions for Energy Storage and Conversion
    Pandit, L.; Serrer, M.-A.; Saraҫi E.; Boubnov, A.; Grunwaldt, J.-D.
    2022. Chemistry methods, 2 (1), e202100078. doi:10.1002/cmtd.202100078
  38. Ultrahigh surface density of Co-N₂C single-atom-sites for boosting photocatalytic CO₂ reduction to methanol
    Ma, M.; Huang, Z.; Doronkin, D. E.; Fa, W.; Rao, Z.; Zou, Y.; Wang, R.; Zhong, Y.; Cao, Y.; Zhang, R.; Zhou, Y.
    2022. Applied catalysis / B, 300, Art.-Nr.: 120695. doi:10.1016/j.apcatb.2021.120695Full textFull text of the publication as PDF document

Presentations

  • Sarma, B. B.: Understanding Dynamics of Supported Atoms and Clusters with In-Situ/Operando Spectroscopy. In 1st Conference of Applied Surface Chemistry (COAST); invited talk at Wiener Neustadt, Austria.

 

  • Baumgarten, L.; Neukum, D.; Saraci, E.; Grunwaldt, J.-D.: 5-(hydroxymethyl)furfural (HMF) as platform molecule from bio-based feedstocks for noble metal based selective oxidations. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Boubnov, A.: X-Ray Spectroscopy on Zinc in Methanol Catalysts: Using Theory to Understand Experimental Data. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Czioska, S.; Boubnov, A.; Escalera-López, D.; Geppert, J.; Röse, P.; Saraci, E.; Krewer, U.; Cherevko, S.; Grunwaldt, J.-D.: Mechanistic and Structural Investigation of OER Catalysts by Oxygen Evolution Reaction at High Potentials Probed by Operando Spectroscopy. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Escalera-López, D.; Czioska, S.; Geppert, J.; Boubnov, A.; Röse, P.; Saraci, E.; Krewer, U.; Grunwaldt, J.-D.; Guay, D.; Cherevko, S.: Strategies to uncover activity-stability relationships in Ir-based catalysts for water splitting. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Schulte, M. L.; Chacko, R.; Serrer, M.-A.; Stehle, M.; Angeli, S. Gossler, H.; Shirsath, A. B.; Saraci, E.; Deutschmann, O.; Grunwaldt, J.-D.: Spatially-Resolved Insights into Local Activity and Structure of Ni Based CO2 Methanation Catalysts in Fixed-Bed Reactors. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Titus, J.; Abel, K. L.; Kuschel, O.; Weber, S.; Poppitz, D.; Sheppard, T. L.; Gläser, R.: Control of Textural Properties and Ni Species of Ni-Catalysts Supported on Si-Stabilized ZrO2. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L.: X-ray Ptychography as a Tool to Understand Catalyst Synthesis and Deactivation in 3D. In 758th WE-Heraeus Seminar "From Wind and Solar Energy to Chemical Energy Storage: Understanding and Engineering Catalysis under Dynamic Conditions"; virtual poster.

 

  • Treu, P.; Huber, P.; Plessow, P. N.; E. Saraçi: Bio-derived terephthalic acid precursors via the Diels-Alder reaction of isoprene and acrylate over solid Lewis acid Sn-BEA. In 6th Green & Sustainable Chemistry Conference; virtual oral.

 

  • Neukum, D.; Schade, O.; J.-D. Grunwaldt; E. Saraçi: Oxidative esterification of HMF with and without base to renewable monomers with supported gold catalysts. In 6th Green & Sustainable Chemistry Conference; virtual oral.

 

  • Weber, S.; Batey, D.; Cipiccia, S.; Sheppard, T. L.: X-ray Nanotomography Reveals Coking of Nickel-based Catalysts Spatially-Resolved in 3D. In Wissenschaftsforum Chemie 2021; virtual oral.

 

  • Weber, S.; Diaz, A.; Holler, M.; Schropp, A.; Lyubomirskiy, M.; Abel, K. L.; Kulkarni, S.; Keller, T.; Gläser, R.; Sheppard, T. L.: Following Calcination and Porosity Evolution with Nanometer Resolution by Ptychographic X-ray Microscopy. In IUPAC CCCE 2021 - 104th Canadian Chemistry Conference and Exhibition; virtual oral.

 

  • Weber, S.; Abel, K. L.; Gläser, R.; Sheppard, T. L.: Unravelling the Pore Structure of a Ni/Al2O3 Catalyst by Tomography. In 23rd JCF-Frühjahrssymposium; virtual poster with short oral.

 

  • Boubnov, A.; Gremminger, A.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D.: Inhibition of Methane Oxidation by H2O and NO studied by Modulation-Excitation X-ray Absorption Spectroscopy. In 54. Jahrestreffen Deutscher Katalytiker; virtual poster.

 

  • Eggart, D.; Huang, X.; Zimina, A.; Pan, X.; Grunwaldt, J.-D.: Platinum doped ceria catalysts for direct conversion of methane. In 54. Jahrestreffen Deutscher Katalytiker; virtual poster with short oral.

 

  • Saraci, E.; Schade, O.; Stein, F.; Reichenberger, S.; Gaur, A.; Barcikowski, S.; Grunwaldt, J.-D.: Selective Aerobic Oxidation of 5-(Hydroxymethyl)furfural over Silver-Gold Alloyed Nanoparticle Catalysts. In 54. Jahrestreffen Deutscher Katalytiker; virtual poster with short oral.

 

  • Gashnikova, D.: Impact of conditioning parameters on the catalytic activity and structure of Pt-based catalysts in CO oxidation revealed by operando XAS. In 54. Jahrestreffen Deutscher Katalytiker; virtual poster.

 

  • Maurer, F.; Jelic, J.; Wang, J.; Gänzler, A.; Dolcet, P.; Wöll, C.; Wang, Y.; Studt, F.; Casapu, M.; Grunwaldt, J.-D.: Tracking the structure of Pt single sites on CeO2 and their CO, C3H6 and CH4 oxidation activity. In 54. Jahrestreffen Deutscher Katalytiker; online.

 

  • Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L. K.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L.: Porosity and Structural Analysis of a Hierarchical Porous Ni/Al2O3 Catalyst for CO2 Methanation. In 54. Jahrestreffen Deutscher Katalytiker; virtual poster with short oral.

 

  • Weber, S.; Sheppard, T. L.: Porosity Analysis of Ni/Al2O3 Catalysts by Multi-scale Tomography. In 5th Annual Workshop on Advances in X-ray Imaging; virtual poster with short oral.

 

  • Weber, S.; Sheppard, T. L.: Demanding Sample Environment and Preparation for in situ Ptychographic X-ray Microscopy Studies of Nickel-based Methanation Catalysts. In 2021 European XFEL Users' Meeting / DESY Photon Science Users' Meeting; online.

 

  • Marchuk, V.; Doronkin, D; Grunwaldt, J.-D.: Operando QEXAFS study of ammonia slip catalysts during realistic driving cycles. In 2021 European XFEL Users' Meeting / DESY Photon Science Users' Meeting; virtual poster.