B03 – In situ/operando Characterization of Noble Metal Clusters and Particles on Metal Oxides at Work

This project aims at tracking and correlating the structure and activity of oxide-supported metals under steady and transient reaction conditions. Using operando X-ray absorption/emission and IR spectroscopy complemented by in situ TEM, we will investigate selected noble metal clusters and nanoparticles deposited on well-defined supports under reaction conditions. Based on the insights into oxidation/reduction behavior, segregation/sintering/redispersion processes and morphology changes, knowledge-based reactivation procedures and improved catalyst design (based on bimetallic particles, mixed support oxides) will be achieved.

Project-related publications by participating researchers

Project- and subject-related list of publications
L. Caulfield, Sauter, E., H. Idriss, Y. Wang, C. Wöll, Bridging the Pressure and Materials Gap in Heterogeneous Catalysis: A Combined UHV, In Situ, and Operando Study Using Infrared Spectroscopy. J. Phys. Chem. C 2023, 127 (29), 14023-14029. DOI: 10.1021/acs.jpcc.3c03567.
P. G. Lustemberg, P. N. Plessow, Y. Wang, C. Yang, A. Nefedov, F. Studt, C. Wöll, Ganduglia-Pirovano, M. V. Vibrational frequencies of cerium-oxide-bound CO: A challenge for conventional DFT methods. Phys. Rev. Lett. 2020, 125 (25), 256101. DOI: 10.1103/PhysRevLett.125.256101.
P. G. Lustemberg, C. Yang, Y. Wang, C. Wöll, M. V. Ganduglia-Pirovano, Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory. J. Chem. Phys. 2023, 159 (3), 034704. DOI: 10.1063/5.0153745.
V. Marchuk, X. H. Huang, J.-D. Grunwaldt, D. E. Doronkin, Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts. Catal. Sci. Technol. 2023, 13 (10), 2946-2965. DOI: 10.1039/d2cy02095e.
F. Maurer, A. Beck, J. Jelic, W. Wang, S. Mangold, M. Stehle, D. Wang, P. Dolcet, A. M. Gänzler, C. Kübel, F. Studt, M. Casapu, J.-D. Grunwaldt, Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation. ACS Catal. 2022, 12 (4), 2473-2486. DOI: 10.1021/acscatal.1c04565.
F. Maurer, J. Jelic, J. J. Wang, A. M. Gänzler, P. Dolcet, C. Wöll, Y. Wang, F. Studt, M. Casapu, J.-D. Grunwaldt, Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2. Nat. Catal. 2020, 3 (10), 824-833. DOI: 10.1038/s41929-020-00508-7.
B. B. Sarma, F. Maurer, D. E. Doronkin, J.-D. Grunwaldt, Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chem. Rev. 2022, 123 (1), 379-444. DOI: 10.1021/acs.chemrev.2c00495.
M. Scheffler, M. Aeschlimann, M. Albrecht, T. Bereau, H.-J. Bungartz, C. Felser, M. Greiner, A. Groß, C. T. Koch, K. Kremer, W. E. Nagel, M. Scheidgen, C. Wöll, FAIR data enabling new horizons for materials research. Nature 2022, 604 (7907), 635-642. DOI: 10.1038/s41586-022-04501-x.
J. J. Wang, E. Sauter, A. Nefedov, S. Heissler, F. Maurer, M. Casapu, J.-D. Grunwaldt, Y. Wang, C. Wöll, Dynamic Structural Evolution of Ceria-Supported Pt Particles: A Thorough Spectroscopic Study. J. Phys. Chem. B 2022, 126 (21), 9051-9058. DOI: 10.1021/acs.jpcc.2c02420.
C. Wöll, Structure and Chemical Properties of Oxide Nanoparticles Determined by Surface-Ligand IR Spectroscopy. ASC Catalysis 2020, 10 (1), 168-176. DOI: 10.1021/acscatal.9b04016.

Project- and subject-related list of publications

L. Caulfield, Sauter, E., H. Idriss, Y. Wang, C. Wöll, Bridging the Pressure and Materials Gap in Heterogeneous Catalysis: A Combined UHV, In Situ, and Operando Study Using Infrared Spectroscopy. J. Phys. Chem. C 2023, 127 (29), 14023-14029.

DOI: 10.1021/acs.jpcc.3c03567.

P. G. Lustemberg, P. N. Plessow, Y. Wang, C. Yang, A. Nefedov, F. Studt, C. Wöll, Ganduglia-Pirovano, M. V. Vibrational frequencies of cerium-oxide-bound CO: A challenge for conventional DFT methods. Phys. Rev. Lett. 2020, 125 (25), 256101.

DOI: 10.1103/PhysRevLett.125.256101.

P. G. Lustemberg, C. Yang, Y. Wang, C. Wöll, M. V. Ganduglia-Pirovano, Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory. J. Chem. Phys. 2023, 159 (3), 034704.

DOI: 10.1063/5.0153745.

V. Marchuk, X. H. Huang, J.-D. Grunwaldt, D. E. Doronkin, Structure sensitivity of alumina- and zeolite-supported platinum ammonia slip catalysts. Catal. Sci. Technol. 2023, 13 (10), 2946-2965.

DOI: 10.1039/d2cy02095e.

F. Maurer, A. Beck, J. Jelic, W. Wang, S. Mangold, M. Stehle, D. Wang, P. Dolcet, A. M. Gänzler, C. Kübel, F. Studt, M. Casapu, J.-D. Grunwaldt, Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation. ACS Catal. 2022, 12 (4), 2473-2486.

DOI: 10.1021/acscatal.1c04565.

F. Maurer, J. Jelic, J. J. Wang, A. M. Gänzler, P. Dolcet, C. Wöll, Y. Wang, F. Studt, M. Casapu, J.-D. Grunwaldt, Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2. Nat. Catal. 2020, 3 (10), 824-833.

DOI: 10.1038/s41929-020-00508-7.

B. B. Sarma, F. Maurer, D. E. Doronkin, J.-D. Grunwaldt, Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools. Chem. Rev. 2022, 123 (1), 379-444.

DOI: 10.1021/acs.chemrev.2c00495.

M. Scheffler, M. Aeschlimann, M. Albrecht, T. Bereau, H.-J. Bungartz, C. Felser, M. Greiner, A. Groß, C. T. Koch, K. Kremer, W. E. Nagel, M. Scheidgen, C. Wöll, FAIR data enabling new horizons for materials research. Nature 2022, 604 (7907), 635-642.

DOI: 10.1038/s41586-022-04501-x.

J. J. Wang, E. Sauter, A. Nefedov, S. Heissler, F. Maurer, M. Casapu, J.-D. Grunwaldt, Y. Wang, C. Wöll, Dynamic Structural Evolution of Ceria-Supported Pt Particles: A Thorough Spectroscopic Study. J. Phys. Chem. B 2022, 126 (21), 9051-9058.

DOI: 10.1021/acs.jpcc.2c02420.

C. Wöll, Structure and Chemical Properties of Oxide Nanoparticles Determined by Surface-Ligand IR Spectroscopy. ASC Catalysis 2020, 10 (1), 168-176.

DOI: 10.1021/acscatal.9b04016.

The project is funded since 2021 and is now in the second funding phase.

Project Area B - Porous catalysts