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Magnetic moment quenching in small Pd clusters in solution

DOI zum Zitieren der Version auf EPub Bayreuth: https://doi.org/10.15495/EPub_UBT_00006080
URN to cite this document: urn:nbn:de:bvb:703-epub-6080-6

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) . - No. 309.
ISSN 1434-6079
DOI der Verlagsversion: https://doi.org/10.1140/epjd/s10053-021-00322-1

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Project information

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

Project financing: Bayerisches Staatsministerium für Wissenschaft, Forschung und Kunst

Abstract

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
DDC Subjects: 500 Science
500 Science > 530 Physics
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
Language: English
Originates at UBT: Yes
URN: urn:nbn:de:bvb:703-epub-6080-6
Date Deposited: 30 Mar 2022 08:51
Last Modified: 30 Mar 2022 08:51
URI: https://epub.uni-bayreuth.de/id/eprint/6080

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