Single Atom Sites in Ga-Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization

Soegaard A, Hsieh TE, Steffen J, Carl S, Wu M, Raed Ramzi Y, Maisel S, Will J, Efimenko A, Gorgoi M, Wilks RG, Frisch J, Taccardi N, Haumann M, Spiecker E, Görling A, Bär M, Wasserscheid P (2025)

Publication Type: Journal article

Publication year: 2025

Journal

ChemPhysChem Wiley

DOI: 10.1002/cphc.202400651

Abstract

Supported catalytically active liquid metal solutions (SCALMS) are materials composed of a liquid metal alloy deposited on a porous support. Due to the dynamic properties of the liquid metal alloy, these systems are suggested to form single atom sites, resulting in unique catalytic properties. Ga−Ni SCALMS were successfully applied to ethylene oligomerization, yielding catalysts that were stable up to 120 h time on stream. A workflow based on synchrotron-based X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) as well as density function theory (DFT) and ab initio molecular dynamics (AIMD) simulations was applied to investigate the nature of the active species in these materials. The combination of XPS with DFT calculations indeed indicates the presence of isolated single Ni atoms on the liquid metal surface, while TEM measurements show high dynamics in the liquid metal with intermetallic phase dissolution and transformation. Furthermore, DFT/AIMD methods allowed for rationalizing the role of hydrogen pretreatment in enriching the Ni atom at the surface of the liquid metal alloy.

Authors with CRIS profile

Alexander Soegaard Lehrstuhl für Chemische Reaktionstechnik (CRT) Julien Steffen Lehrstuhl für Theoretische Chemie Simon Carl Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Mingjian Wu Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Yousuf Raed Ramzi Lehrstuhl für Chemische Reaktionstechnik (CRT) Sven Maisel Lehrstuhl für Theoretische Chemie Johannes Will Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Nicola Taccardi Lehrstuhl für Chemische Reaktionstechnik (CRT) Marco Haumann Lehrstuhl für Chemische Reaktionstechnik (CRT) Erdmann Spiecker Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Andreas Görling Lehrstuhl für Theoretische Chemie Marcus Bär Professur für Röntgenspektroskopie (HIERN) Peter Wasserscheid Lehrstuhl für Chemische Reaktionstechnik (CRT)

Involved external institutions

Helmholtz-Zentrum Berlin für Materialien und Energie (HZB) DE Germany (DE)

How to cite

APA:

Soegaard, A., Hsieh, T.E., Steffen, J., Carl, S., Wu, M., Raed Ramzi, Y.,... Wasserscheid, P. (2025). Single Atom Sites in Ga-Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization. ChemPhysChem. https://doi.org/10.1002/cphc.202400651

MLA:

Soegaard, Alexander, et al. "Single Atom Sites in Ga-Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization." ChemPhysChem (2025).

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