The electric field gradient as a signature of the binding and the local structure of adatoms on graphene

We examined the interaction between adatoms and graphene for Ag, Cd, In Hg by density functional theory. establish a relation binding energy electric-field gradient tensor (EFG) each atom, which indicates that hyperfine interactions can be used to probe stability of on graphene. The EFG is also shown fingerprint local configuration, even at sub-Angstrom scale. This work demonstrates how suitable methods, such as perturbed angular correlation spectroscopy, experimentally unravel details atomic adsorption graphene, extension two-dimensional materials in general.