Pd-Ga model SCALMS: Characterization and stability of Pd single atom sites

Journal article


Publication Details

Author(s): Kettner M, Maisel S, Stumm C, Schwarz M, Schuschke C, Görling A, Libuda J
Journal: Journal of Catalysis
Publication year: 2019
Volume: 369
Pages range: 33-46
ISSN: 0021-9517


Abstract

We have prepared model systems for Pd-Ga supported catalytically active liquid metal solutions (SCALMS) by physical vapor deposition of Pd and Ga in ultrahigh vacuum onto highly oriented pyrolytic graphite (HOPG) pre-modified by Ar+ bombardment. Combining AFM and IRAS with CO as a probe molecule, we investigate the growth behavior, the morphology, the surface chemistry, and the stability of Pd-Ga alloys on HOPG.
Our results prove the single atom character of the active sites in Ga-rich Pd-Ga alloys. We show that upon interaction with CO, Ga is displaced from the surface and CO adsorbs in on-top position on surface Pd atoms. Experimental data on the vibrational frequencies and binding energies of CO are compared to the results of DFT calculations for CO adsorption on four different Pd-Ga models, i.e. PdGa(1 0 0), PdGa( 1 1 1), Pd-doped \textgreeka-Ga(0 0 1), and Pd-doped fcc-Ga(1 0 0). The comparison suggests that widely separated Pd sites are formed in the Ga matrix.


FAU Authors / FAU Editors

Görling, Andreas Prof. Dr.
Libuda, Jörg Prof. Dr.
Lehrstuhl für Theoretische Chemie
Professur für Physikalische Chemie
Kettner, Miroslav, Ph.D.
Lehrstuhl für Katalytische Grenzflächenforschung
Maisel, Sven
Lehrstuhl für Theoretische Chemie
Schuschke, Christian
Lehrstuhl für Physikalische Chemie II
Schwarz, Matthias
Lehrstuhl für Physikalische Chemie II
Stumm, Corinna
Lehrstuhl für Physikalische Chemie II


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


Research Fields

D Catalytic Materials
Exzellenz-Cluster Engineering of Advanced Materials
A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


How to cite

APA:
Kettner, M., Maisel, S., Stumm, C., Schwarz, M., Schuschke, C., Görling, A., & Libuda, J. (2019). Pd-Ga model SCALMS: Characterization and stability of Pd single atom sites. Journal of Catalysis, 369, 33-46. https://dx.doi.org/10.1016/j.jcat.2018.10.027

MLA:
Kettner, Miroslav, et al. "Pd-Ga model SCALMS: Characterization and stability of Pd single atom sites." Journal of Catalysis 369 (2019): 33-46.

BibTeX: 

Last updated on 2019-09-04 at 12:01