Interfacial magnetism in a fused superatomic cluster [Co6Se8(PEt3)5]2. Issue 37 (16th September 2021)

• Record Type: Journal Article
• Authors: Bista, Dinesh; Sengupta, Turbasu; Reber, Arthur C.; Khanna, Shiv N.
• Is Part Of: Nanoscale. Volume 13:Issue 37(2021)
• Page Start: 15763
• Page End: 15769
• Publication Date: 2021-09-16
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/d1nr00876e
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : In a cluster assembled solid, [Co6 Se8 (PEt3 )5 ]2 + was found with the interfacial magnetic moment of 1 μ B . The addition of charge carriers to the solid might enhance the magnetic moment of the dimers. Abstract : An isolated Co6 Se8 (PEt3 )6 cluster is non-magnetic; however, we find that a magnetic unit can be formed by fusing two Co6 Se8 (PEt3 )5 superatoms into a [Co6 Se8 (PEt3 )5 ]2 dimer. Theoretical studies indicate that the dumbbell-shaped [Co6 Se8 (PEt3 )5 ]2 dimer has a spin moment of 2 μ B, and the spin density is primarily localized at the interfacial Co-sites where two clusters are fused into a dimer. The dimer has a low ionization energy of 4.17 eV, allowing the dimer to donate charge to C70 during the formation of a cluster assembled material, as seen in recent experiments by Nuckolls and co-workers. The donation of charge causes the dimer's magnetic moment to drop from 2 μ B to 1 μ B . We hypothesize that adding electrons to the dimer, such as doping impurities to the crystal lattice, may enhance the magnetic moment by neutralizing the charged cluster. This reveals a strategy for stabilizing magnetic moments in ligated cluster assemblies.