News & Publications

Publications

V. R. Naina, S. Wang, D. I. Sharapa, M. Zimmermann, M. Hähsler, L. Niebl-Eibenstein, J. Wang, C. Wöll, Y. Wang, S. K. Singh, F. StudtS. Behrens, Shape-Selective synthesis of intermetallic Pd3Pb nanocrystals and enhanced catalytic properties in the direct synthesis of hydrogen peroxide, ACS Catal. 2021, 11, 2288−2301

DOI: 10.1021/acscatal.0c03561

M. Liebertseder, D. Wang, G. Cavusoglu, M. Casapu, S. Wang, S. Behrens, C. Kübel, J.-D. Grunwaldt, C. Feldmann, NaCl-template-based synthesis of TiO2-Pd/Pthollow nanospheres for H2O2 direct synthesis and CO oxidation, Nanoscale, 2021,13, 2005.

DOI: 10.1039/d0nr08871d

J. Becher, D. Ferreira-Sanchez, D. E. Doronkin, D. Zengel, D. Motta Meira, S. Pascarelli, J.-D. Grunwaldt, T. L. Sheppard, Chemical gradients in automotive Cu-SSZ-13 catalysts for NOx removal revealed by operando X-ray spectrotomography. Nature Catal. 2021, 4, 46.

DOI: 10.1038/s41929-020-00552-3

F. Maurer, J. Jelic, J. Wang, A. Gänzler, P. Dolcet, C. Wöll, Y. Wang, F. Studt, M. Casapu, J.-D. Grunwaldt, Tracking the formation, fate and consequence fot catalytic activity of Pt single sites on CeO2. Nature Catal. 2020, 3, 824

DOI: 10.1038/s41929-020-00508-7

P. G. Lustemberg, P. Plessow, Y. Wang, C. Wang, A. Nefedov, F. Studt, C. Wöll, M. V. Ganduglia-Pirovano, Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods. Phys. Rev. Lett.. 2020

DOI: 10.1103/PhysRevLett.125.256101

A. Böttcher, R. Schwaiger, T. M. Pazdera, D. Exner, J. Hauns, D. Strelnikov, S. Lebedkin, R. Gröger, F. Esch, B. A. J. Lechner, M. M. Kappes, Nanoscale Patterning at the Si/SiO2/Graphene Interface by Focused He+ Beam, Nanotechnology, 2020, 31, 50

DOI: 10.1088/1361-6528/abb5cf

A. Gänzler, B. Betz, S. Baier-Stegmaier, S. Belinm V. Briois, M. Votsmeier, M. Casapu, Operando X-ray absorption spectroscopy study during conditioning of Pt-based catalysts and its implications for CO oxidation. J. Phys. Chem. C 2020, 124, 20090

DOI: 10.1021/acs.jpcc.0c04740

W. Wang, D.I. Sharapa, A. Chandresh, A. Nefedov, S. Heißler, L. Heinke, F. Studt, Y. Wang, C. Wöll, Interplay of Electronic and Steric Effects to Yield LowTemperature CO Oxidation at Metal Single Sites in DefectEngineered HKUST-1, Angew. Chem. Int. Ed. 2020, 59, 10514

DOI: 10.1002/anie.202000385

J. Lengyel, N. Levin, F. J. Wensink, O. V. Lushchikova, R. N. Barnett, U. Landman, U. Heiz, J. M. Bakker, M. Tschurl, Carbide Dihydrides: Carbonaceous Species Identified in Ta4+‐Mediated Methane Dehydrogenation. Angew. Chem. Int. Ed. 2020, 59, 1.

DOI: 10.1002/anie.202010794

P. N. Plessow, The transformation of cuboctahedral to icosahedral nanoparticles: atomic structure and dynamics. Phys. Chem. Chem. Phys. 2020, 22, 12939.

DOI: 10.1039/D0CP01651A

C. Yang, M. Capdevila-Cortada, C. Dong, Y. Zhou, J. Wang, X. Yu, A. Nefedov, S. Heißler, N. López, W. Shen, C. Wöll, Y. Wang, Surface Refaceting Mechanism on Cubic Ceria. J. Phys. Chem. Lett. 2020, 11, 7925.

DOI: 10.1021/acs.jpclett.0c02409

F. Tajoli, N. Dengo, M. Mognato, P. Dolcet, G. Lucchini, A. Faresin, J.-D. Grunwaldt, X. Huang, D. Badocco, M. Maggini, C. Kübel, A. Speghini, T. Carofiglio, S. Gross, Microfluidic crystallization of surfactant-free doped zinc sulfide nanoparticles for optical bioimaging applications, ACS Applied Materials & Interfaces, 2020, 12, 44074

DOI: 10.1021/acsami.0c13150

P. F. Siril, M. Türk, Synthesis of metal nanostructures using supercritical carbon dioxide – A green and up scalable process, Small 2020.

DOI: 10.1002/smll.202001972

K. Keller, P. Lott, H. Stotz, L. Maier, O. Deutschmann, Microkinetic Modeling of The Oxidation of Methane Over PdO Catalysts — Towards A Better Understanding of The Water Inhibition Effect. Catalysts 2020, 10, 922

DOI: 10.3390/catal10080922

B. B. Sarma, P. N. Plessow, G. Agostini, P. Concepción, N. Pfänder, L. Kang, F. R. Wang, F. Studt, G. Prieto , Metal-specific reactivity in single-atom-catalysts: CO oxidation on 4d and 5d transition metals atomically dispersed on MgO. J. Am. Chem. Soc. 2020, 142, 14890

DOI: 10.1021/jacs.0c03627

J. Dörnhöfer, M. Börnhorst, C. Ates, N. Samkhaniani, J. Pfeil, M. Wörner, R. Koch, H.-J. Bauer, O. Deutschmann, B. Frohnapfel, T. Koch, A holistic view on urea injection for NOx emission control: impingement, re-atomization and deposit formation. Emiss. Control Sci. Technol. 2020

DOI: 10.1007/s40825-019-00151-0

A.-S. Hehn, D. Bumüller, W. Klopper, M. M. Kappes, D. Schooss, Structural Phase Transition of Ruthenium Cluster Hydrides, J. Phys. Chem. C 2020, 124, 14306

DOI: 10.1021/acs.jpcc.0c01962

A. Gaur, M. Stehle, K. V. Raun, J. Thrane, A. D. Jensen, J.-D. Grunwaldt, M. Høj, Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD, Phys. Chem. Chem. Phys. 2020, 22, 11713

DOI: 10.1039/D0CP01506G

M. Loewert, M. Serrer, T. Carambia, M. Stehle, A. Zimina, K. Kalz, H. Lichtenberg, E. Saraci, P. Pfeifer, J.-D. Grunwaldt, Bridging the gap between industry and synchrotron: An operando study at 30 bar over 300 h during Fischer-Tropsch synthesis, React. Chem. Eng. 2020, 5, 1071

DOI: 10.1039/C9RE00493A

S. Wang, D. E. Doronkin, M. Hähsler, X. Huang, D. Wang, J.-D. Grunwaldt, S. Behrens, Pd-Based Bimetallic Nanocrystal Catalysts for the Direct Synthesis of H2O2, ChemSusChem 2020, 13, 3243

DOI: 10.1002/cssc.202000407

B. Arndt, B. A. J. Lechner, A. Bourgund, E. Grånäs, M. Creutzburg, K. Krausert, J. Hulva, G. S. Parkinson, M. Schmid, V. Vonk, F. Esch, A. Stierle, Order-disorder phase transition of the subsurface cation vacancy reconstruction on Fe3O4(001), Phys. Chem. Chem. Phys. 2020, 22, 8336

 DOI: 10.1039/D0CP00690D

M. R. Nielsen, A. B. Moss, A. S. Bjørnlund, X. Liu, A. Knop-Gericke, A. Y. Klyushin, J.-D. Grunwaldt, T. Sheppard, D. E. Doronkin, A. Zimina, T. E. L. Smitshuysen, C. D. Damsgaard, J. B. Wagner, T. W. Hansen, Reduction and Carburization of Iron Oxides for Fischer-Tropsch Synthesis, J. Energy Chem. 2020, 51, 48

DOI: 10.1016/j.jechem.2020.03.026

X. Yang, M. Kahnt, D. Brückner, A. Schropp, Y. Fam, J. Becher, J.-D. Grunwaldt, T. L. Sheppard, C. G. Schroer, Tomographic reconstruction with a generative adversarial network. J. Synchrotron Rad. 2020, 27, 486

DOI: 10.1107/S1600577520000831

N. Levin, J. Lengyel, J. F. Eckhard, M. Tschurl, U. Heiz, Catalytic Non-Oxidative Coupling of Methane on Ta8O2+, J. Am. Chem. Soc. 2020, 142, 5862

DOI:10.1021/jacs.0c01306

S. Wang, R.J. Lewis, D. E. Doronkin, D. J. Morgan, J.-D. Grunwaldt, G. J. Hutchings, S. Behrens, The Direct Synthesis of Hydrogen Peroxide from H2 and O2 Using Pd-Ga and Pd-In Catalysts, Catal. Sci. Technol. 2020, 10, 1925

DOI: 10.1039/c9cy02210d

A. Gremminger, J. Pihl, M. Casapu, J.-D. Grunwaldt, T. J. Toops, O. Deutschmann, PGM based catalysts for exhaust-gas after-treatment under typical diesel, gasoline and gas engine conditions with focus on methane and formaldehyde oxidation, Appl. Catal. B 2020, 265, 118571

DOI: 10.1016/j.apcatb.2019.118571

O. Schade, P. Dolcet, A. Nefedov, X. Huang, E. Saraci, C. Wöll, J.-D. Grunwaldt, The Influence of Gold Particle Size on the Catalytic Oxidation of 5-(Hydroxymethyl)furfural, Catalysts 2020, 10, 342

DOI: 10.3390/catal10030342

T. E. L. Smitshuysen, M. R. Nielsen, T. Pruessmann, A. Zimina, T. L. Sheppard, J.-D. Grunwaldt, I. Chorkendorff, C. D. Damsgaard, Optimizing Ni-Fe-Ga alloys into Ni2FeGa for the hydrogenation of CO2 into methanol. ChemCatChem 2020

DOI: 10.1002/cctc.202000174

A. P. Veenstra, L. Monzel, A. Baksi, J. Czekner, S. Lebedkin, E. K. Schneider, T. Pradeep, A.-N. Unterreiner, M. M. Kappes, Ultrafast Intersystem Crossing in Isolated Ag29(BDT)123− Probed by Time-Resolved Pump−Probe Photoelectron Spectroscopy, J. Phys. Chem. Lett. 2020, 11, 2675

DOI: 10.1021/acs.jpclett.0c00482

J. Weippert, J. Hauns, J. Bachmann, J.-F. Greisch, A. Narita, K. Müllen, A. Böttcher, M. M. Kappes, Oligomerization of Dehydrogenated Polycyclic Aromatic Hydrocarbons on Highly Oriented Pyrolytic Graphite (HOPG), J. Phys. Chem. 2020

DOI: 10.1021/acs.jpcc.0c00883

I. A. Cuadra, A. Cabañas, J. A. R. Cheda, M. Türk, C. Pando, Cocrystallization of the anticancer drug 5-fluorouracil and coformers urea, thiourea or pyrazinamide using supercritical CO2 as an antisolvent (SAS) and as a solvent (CSS), J. Supercrit. Fluids 2020, 160, 104813

DOI: 10.1016/j.supflu.2020.104813

S. Kohaut, T. Rapps, K. Fink, D. Schooss, Structural Evolution of Palladium Clusters Pd55–Pd147: Transition to the Bulk. J. Phys. Chem. A 2019, 123, 10940

DOI: 10.1021/acs.jpca.9b09369

F. Grinschek, D. Xie, M. Klumpp, M. Kraut, E. Hansjosten, R. Dittmeyer, Regular Microstructured Elements for Intensification of Gas-Liquid Contacting Made by Selective Laser Melting, Ind. Eng. Chem. Res. 2020, 49, 3736

DOI 10.1021/acs.iecr.9b04548

T. Kawaguchi, T. F. Keller, H. Runge, L. Gelisio, C. Seitz, Y. Y. Kim, E. R. Maxey, W. Cha, A. Ulvestad, S. O. Hruszkewycz, R. Harder, I. A. Vartanyants, A. Stierle, H. You, Gas-Induced Segregation in Pt-Rh Alloy Nanoparticles Observed by In Situ Bragg Coherent Diffraction Imaging, Phys. Rev. Lett. 2019, 123, 246001

DOI: 10.1103/PhysRevLett.123.246001

A. Baksi, E. K. Schneider, P. Weis, K. R. Krishnadas, D. Ghosh, H. Hahn, T. Pradeep, M. M. Kappes, Nanogymnastics: Visualization of Intercluster Reactions by High-Resolution Trapped Ion Mobility Mass Spectrometry, J. Phys. Chem. 2019, 123, 28477

DOI: 10.1021/acs.jpcc.9b08686