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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 title Project's id SFB 840 B1 No 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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