A07N – Multimetallic Atomically Precise and Nanoscale Models for Reactive Sites

A07N focuses on the atomically-precise synthesis of nanostructured cluster-based model systems of the reactive site of catalysts including metals such as Ru, Rh, Pd, Pt and/or Ce and their structural and catalytic characterization in situ and ex situ, using electron and X-ray-based diffraction, spectroscopic, and imaging methods. Reactivity studies with NH3/CH4 with O2 address as-prepared clusters in the gas phase using hybrid mass spectrometry and the evolution of supported clusters using advanced transmission electron microscopy. We aim to achieve a profound understanding of structures and key processes at the atomic scale and of these species as catalysts themselves.

The project is funded since 2025, the second funding phase of TrackAct.

Project-related publications by participating researchers

Project- and subject-related list of publications

K. Beuthert, B. Weinert, R. J. Wilson, F. Weigend, S. Dehnen, [M@Sn14–xSbx]q− (M = La, Ce, or U; x = 6–8; q = 3, 4): Interaction of 4f or 5f Metal Ions with 5p Metal Atoms in Intermetalloid Clusters, Inorg. Chem. 2022, 61, 1885–1890.

DOI: 10.1021/acs.inorgchem.2c01298.

S. Chen, X. Huang, D. Schild, D. Wang, C. Kübel, S. Behrens, Pd–In intermetallic nanoparticles with high catalytic selectivity for liquid-phase semi-hydrogenation of diphenylacetylene, Nanoscale 2022, 14, 17661.

DOI: 10.1039/D2NR03674F.

S. Kang, D. Wang, A. Caron, C. Minnert, K. Durst, C. Kübel, X. Mu, Direct Observation of Quadrupolar Strain Fields forming a Shear Band in Metallic Glasses. Adv. Mater. 2023, 35, 2212086.

DOI: 10.1002/adma.202212086.

S. J. Kang, V. Wollersen, C. Minnert, K. Durst, H. S. Kim, C. Kübel, X. Mu, Mapping local atomic structure of metallic glasses using machine learning aided 4D-STEM, Acta Mat. 2024, 263, 119495;

DOI: 10.1016/j.actamat.2023.119495.

N. Lichtenberger, N. Spang, A. Eichhöfer, S. Dehnen, Between Localization and Delocalization: Ru(cod)2+ Units in the Zintl Clusters [Bi9{Ru(cod)}2]3– and [Tl2Bi6{Ru(cod)}]2–, Angew. Chem. Int. Ed. 2017, 56, 13253–13258.

DOI: 10.1002/anie.201707632.

F. Maurer, A. Beck, J. Jelic, W. Wang, S. Mangold, M. Stehle, D. Wang, P. Dolcet, A. Gänzler, C. Kübel, F. Studt, M. Casapu, J.-D. Grunwaldt, Surface noble metal concentration on ceria as key descriptor for efficient catalytic CO oxidation, ACS Catal. 2022, 12, 2473–2486;

DOI: 10.1021/acscatal.1c04565.

J. E. McGrady, F. Weigend, S. Dehnen, Electronic structure and bonding in endohedral Zintl clusters, Chem. Soc. Rev. 2022, 51, 628–649.

DOI: 10.1039/D1CS00775K

B. Peerless, A. Schmidt, Y. J. Franzke, S. Dehnen, φ-Aromaticity in prismatic {Bi6}-based clusters, Nat. Chem. 2023, 15, 347–356.

DOI: 10.1038/s41557-022-01099-5.

S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation, ChemCatChem, 2022, 14, e202101878.

DOI: 10.1002/cctc.202101878.

R. J. Wilson, N. Lichtenberger, B. Weinert, S. Dehnen, Intermetalloid and Heterometallic Clusters Combining p-Block (Semi)Metals with d- or f-Block Metals, Chem. Rev. 2019, 119, 8506–8554.

DOI: 10.1021/acs.chemrev.8b00658.

Recent references