Abstract
We theoretically studied the ferromagnetism/antiferromagnetism (FM/AFM) transition between single-wall carbon nanotubes (SWCNTs) induced by chemical modifications of semihydrogenation (SH-) and full-amination (NH2-). We found that armchairs with large diameters of SH-CNTs (n > 3) possess FM functions with intense magnetic moments, while armchair NH2-CNTs (n = 4, 6, 8) are antiferromagnetic semiconductors. The FM/AFM transition is mainly dominated by different chemical modifications and sizes of SWCNTs whose distance between carbon atoms of unpaired electrons can regulate the intensity of p-p spin interactions. Moreover, the zigzag SH-CNTs and NH2-CNTs are NM semiconductors. Thus, the electronic and magnetic properties of the SH- or NH2-CNTs can be precisely modulated by controlling the hydrogenation or amination on the different types and diameters of CNTs, which provides a new and also simple process for magnetism optimization design in SWCNTs.
Original language | English (US) |
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Pages (from-to) | 3743-3746 |
Number of pages | 4 |
Journal | Nanoscale |
Volume | 3 |
Issue number | 9 |
DOIs | |
State | Published - Sep 1 2011 |
ASJC Scopus subject areas
- General Materials Science