Leibniz Institute for Solid State and Materials Research (IFW), 01069 Dresden, Germany.
Nanoscale. 2018 Oct 4;10(38):18153-18160. doi: 10.1039/c8nr05386c.
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.
使用高分辨率透射电子显微镜（HRTEM）、X 射线磁圆二色性（XMCD）和从头算计算研究了封装在单壁碳纳米管（SWCNT）内的endo 富勒烯 Dy2ScN@C80 单分子磁体（SMM）一维链的磁有序和双稳性。X 射线吸收测量表明，封装的 endo 富勒烯的取向与体相样品中的各向同性分布不同，表明 SWCNT 内的 endo 富勒烯存在部分有序。通过从头算计算进一步研究了一维堆积的影响，表明对于特定的管直径，封装导致内笼簇在能量上优先取向。此外，元素特异性磁化曲线表明，与体相类似物相比，封装的 Dy2ScN@C80 SMM 的磁双稳性降低。
