Journal
NANOSCALE
Volume 3, Issue 9, Pages 3743-3746Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1nr10445d
Keywords
-
Categories
Funding
- National Basic Research Program of China (973 program) [2011CB933400, 2010CB933904, 2010CB933600]
- CAS
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available