The electric field gradient as a signature of the binding and the local structure of adatoms on graphene
authors Fenta, AS; Amorim, CO; Goncalves, JN; Fortunato, N; Barbosa, MB; Cottenier, S; Correia, JG; Pereira, LMC; Amaral, VS
nationality International
journal APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
author keywords Graphene; Adatoms; Electric field gradient; Binding energy; Hyperfine interactions
keywords ATOMS
abstract We examined the interaction between adatoms and graphene for Ag, Cd, In and Hg by density functional theory. We establish a relation between the binding energy and the electric-field gradient tensor (EFG) for each atom, which indicates that hyperfine interactions can be used to probe the binding and stability of adatoms on graphene. The EFG is also shown to be a fingerprint for the local configuration, even at the sub-Angstrom scale. This work demonstrates how suitable hyperfine methods, such as perturbed angular correlation spectroscopy, can be used to experimentally unravel details of atomic adsorption on graphene, and by extension on two-dimensional materials in general.
publisher SPRINGER HEIDELBERG
issn 0947-8396
isbn 1432-0630
year published 2021
volume 127
issue 8
digital object identifier (doi) 10.1007/s00339-021-04722-3
web of science category 8
subject category Materials Science, Multidisciplinary; Physics, Applied
unique article identifier WOS:000669216300002

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