▎ 摘　　要

Using first-principles calculations, we investigate the adsorption of H atoms on a graphene substrate with Stone-Thrower-Wales (STW) defects. Energetically, H atoms are preferred to adsorb onto the defect sites. The presences of a rotated C-C bond (a STW defect) with the H atom adsorption in graphene quench spin and band gap, while H atoms adsorption on the top of C atoms adjacent two H adsorbed carbon atoms in the "rotated" bond show ferromagnetism and band gap. Electronic and magnetic structures associated with H atomic adsorptions on STW defects in graphene are discussed. (C) 2012 Elsevier Ltd. All rights reserved