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Magnetic moment quenching in small Pd clusters in solution

Title data

Hammon, Sebastian ; Leppert, Linn ; Kümmel, Stephan:
Magnetic moment quenching in small Pd clusters in solution.
In: The European Physical Journal D. Vol. 75 (2021) Issue 12 . - No. 309.
ISSN 1434-6079
DOI: https://doi.org/10.1140/epjd/s10053-021-00322-1

Official URL: Volltext

Project information

Project title:
Project's official titleProject's id
SFB 840 B1No information

Project financing: Bayerisches Staatsministerium für Wissenschaft, Forschung und Kunst

Abstract in another language

Small palladium clusters in vacuum show pronounced magnetic moments. With the help of
Born–Oppenheimer molecular dynamics simulations based on density functional theory, we investigate for
the paradigmatic examples of the Pd13 and the Pd8 cluster whether these magnetic moments prevail when
the clusters are solvated. Our results show that the interaction with acetophenone quenches the magnetic
moment. The reduction of the magnetic moment is a direct consequence of the electronic interaction
between the Pd clusters and the solvent molecules, and not an indirect effect due to a different cluster
geometry being stabilized by the solvation shell.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV > Chair Theoretical Physics IV - Univ.-Prof. Dr. Stephan Kümmel
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV
Result of work at the UBT: Yes
DDC Subjects: 500 Science
500 Science > 530 Physics
Date Deposited: 21 Dec 2021 08:59
Last Modified: 30 Mar 2022 08:51
URI: https://eref.uni-bayreuth.de/id/eprint/68202