at Google ScholarTitle 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
.
- 309.
ISSN 1434-6079
DOI: https://doi.org/10.1140/epjd/s10053-021-00322-1
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 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: | 15 Jun 2023 13:38 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/68202 |