Theoretical Study of the Chemisorption of Hydrogen Atom on Perfect Graphene


We use the Newns-Anderson model to study the chemisorption process for hydrogen atom on perfect graphene. The self-consistent solutions for hydrogen atom occupation levels show that the physical solution is magnetic for all normal distance values from the graphene sheet. And the metallic part of the chemisorption energy is the dominant one for all distance values, which gives the obvious description to the type of hydrogen bonding formed with the graphene.