Abstract
The magnetic ordering and bistability of one-dimensional chains of endofullerene Dy2ScN@C80 single-molecule magnets (SMMs) packed inside single-walled carbon nanotubes (SWCNTs) have been studied using high-resolution transmission electron microscopy (HRTEM), X-ray magnetic circular dichroism (XMCD), and ab initio calculations. X-ray absorption measurements reveal that the orientation of the encapsulated endofullerenes differs from the isotropic distribution in the bulk sample, indicating a partial ordering of the endofullerenes inside the SWCNTs. The effect of the one-dimensional packing was further investigated by ab initio calculations, demonstrating that for specific tube diameters, the encapsulation is leading to energetically preferential orientations of the endohedral clusters. Additionally, element-specific magnetization curves reveal a decreased magnetic bistability of the encapsulated Dy2ScN@C80 SMMs compared to the bulk analog.
Highlights
X-ray absorption measurements reveal that the orientation of the encapsulated endofullerenes differs from the isotropic distribution in the bulk materials, indicating a partial ordering of the endofullerenes inside the single-walled carbon nanotubes (SWCNTs)
The C80 fullerene cages are visible as circles inside the SWCNT, demonstrating that there is no significant damage from the X-ray exposure
We have performed an high-resolution transmission electron microscopy (HRTEM), X-ray absorption spectroscopy (XAS), and a computational study of one-dimensional arrays of Dy2ScN@C80 single-molecule magnets (SMMs) packed inside SWCNTs
Summary
X-ray absorption measurements reveal that the orientation of the encapsulated endofullerenes differs from the isotropic distribution in the bulk materials, indicating a partial ordering of the endofullerenes inside the SWCNTs. The effect of the onedimensional packing was further investigated using ab initio calculations, demonstrating that for specific tube diameters, the encapsulation is leading to energetically preferential orientations of the endohedral clusters. X-ray absorption measurements reveal that the orientation of the encapsulated endofullerenes differs from the isotropic distribution in the bulk sample, indicating a partial ordering of the endofullerenes inside the SWCNTs. The effect of the one-dimensional packing was further investigated by ab initio calculations, demonstrating that for specific tube diameters, the encapsulation is leading to energetically preferential orientations of the endohedral clusters.
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