Published in
Royal Society of Chemistry, Dalton Transactions, 32(52), p. 11243-11253, 2023
DOI: 10.1039/d3dt01233f
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Single-ion magnet behavior of Ln<sup>3+</sup> encapsulated in carbon nanotubes: an ab initio insight
Journal article published in 2023 by
Dan Liu 
,
Xuefeng Guo,
Xiaoyong Zhang ,
Abdullah A. Al-Kahtani,
Liviu F. Chibotaru
,
Xuefeng Guo,
Xiaoyong Zhang ,
Abdullah A. Al-Kahtani,
Liviu F. Chibotaru
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Abstract
The magnetization blocking via the late lanthanide series ions embedded in highly symmetric zigzag carbon nanotubes was studied by ab initio methodology. The results indicated Er3+@(7,0) CNT can be a candidate of efficient single-ion magnet.