Tuning the electronic and mechanical properties of penta-graphene via hydrogenation and fluorination

First principles calculations reveal that hydrogenation and fluorination can effectively tune the electronic and mechanical properties of penta-graphene, which has recently been proposed as a new allotrope of carbon with novel properties [Zhang et al. Proc. Natl. Acad. Sci. U. S. A., 2015, 112, 2372].