How hydrogenation changes Biphenylene Carbon (Graphenylene) topology
Biphenylene Carbon (BPC), also known as graphenylene, is a porous graphene-like structure, which has been seen as a good candidate for filtration systems. We report the first detailed study for hydrogen ion BPC interactions. The hydrogenation process was investigated using fully atomistic reactive molecular dynamics simulations. Our results show that during hydrogenation, BPC structure undergoes structural changes evolving to a new form, which resemble the structures known as graphynes.