Ferromagnetism/antiferromagnetism transition between semihydrogenated and fully-aminated single-wall carbon nanotubes

Qingming Deng, Lina Zhao, Youhua Luo, Meng Zhang, Long Jing, Yuliang Zhao

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


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 languageEnglish (US)
Pages (from-to)3743-3746
Number of pages4
Issue number9
StatePublished - Sep 1 2011

ASJC Scopus subject areas

  • Materials Science(all)


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