The influence of Stone–Wales defects on magnetic properties in graphene

Using first-principles calculations, we investigate the magnetism of graphene with Stone–Wales (SW) defects, with and without adsorbed hydrogen. The presence of SW defects with adsorbed H in “bulk” graphene and at the edges of zigzag or zigzag-armchair nanoholes quench spin. The mechanism of the disappearance of magnetism is the interaction of H and C atoms. We explain that the SW defects with adsorbed H produced anywhere in graphene have the ability to “switch off” the magnetism.