christian kuebel ∂does-not-exist.kit edu

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.

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@Sn_14–xSb_x]^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.

Project- and subject-related list of publications

K. Beuthert, B. Weinert, R. J. Wilson, F. Weigend, S. Dehnen, [M@Sn_14–xSb_x]^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.