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RESEARCH PRODUCT
Surface Chemistry Controls Magnetism in Cobalt Nanoclusters
Hannu HäkkinenMichael J. HartmannJill E. Millstonesubject
Magnetismchemistry.chemical_elementligand shellsNanotechnology02 engineering and technology01 natural sciencesNanoclustersMetal0103 physical sciencesPhysics::Atomic and Molecular ClustersCluster (physics)Physical and Theoretical Chemistry010306 general physicsta116density functional theoryta114Magnetic momentChemistryLigandequipment and supplies021001 nanoscience & nanotechnologySurfaces Coatings and FilmsElectronic Optical and Magnetic Materialscobalt nanoclustersGeneral EnergyChemical physicsvisual_artvisual_art.visual_art_mediumDensity functional theorymagnetic properties0210 nano-technologyhuman activitiesCobaltdescription
Magnetic properties of Co13 and Co55 nanoclusters, passivated by surface ligand shells that exhibit varying electronic interactions with the metal, are studied using density functional theory. The calculations show that the chemical nature of the bond between the ligand and the metal core (X-type or L-type) impacts the total magnetic moment of Co nanoclusters dramatically. Furthermore, the chemical identity of the ligand within each binding motif then provides a fine handle on the exhibited magnetic moment of the cluster. Thus, ligand shell chemistry is predicted to not only stabilize Co nanoclusters, but provide a powerful approach to control their magnetic properties, which combined enable a variety of magnetism-based applications.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-04-25 | The Journal of Physical Chemistry C |