A novel mechanism of spin-orientation dependence of O2 reactivity from first principles methodsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cy01198e
A new mechanism beyond charge transfer, spin-orientation dependence of O 2 reactivity on a ferromagnetic surface, is presented using first-principles methods. O 2 favors the anti-parallel configuration at the transition state and a parallel configuration at distances above and below it. This suggest...
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Schreiben Sie den ersten Kommentar!