▎ 摘　　要

The 1,3-dipolar cycloadditions of azomethine ylide and carbonyl ylide to models of graphene have been investigated with density functional theory. Reaction energetics have been obtained and show that edge areas of graphene are much more favourable reaction sites than the centre sites. Azomethine ylide cannot directly react at the centre area, while carbonyl ylides are promising reagents for functionalization of graphene. The influence of some 1,3-dipole substituents is also evaluated.