83 citations · 292 across the 6 of their papers we have counts for
6 papers
Gate induced enhancement of spin-orbit coupling in dilute fluorinated graphene
R. M. Guzmán-Arellano, A. D. Hernández-Nieves, C. A. Balseiro +1
We analyze the origin of spin-orbit coupling (SOC) in fluorinated graphene using Density Functional Theory (DFT) and a tight-binding model for the relevant orbitals. As it turns ou…
Diffusion of fluorine adatoms on doped graphene
R. M. Guzmán-Arellano, A. D. Hernández-Nieves, C. A. Balseiro +1
We calculate the diffusion barrier of fluorine adatoms on doped graphene in the diluted limit using Density Functional Theory. We found that the barrier strongly depends on the…
Magnetic Structure of Hydrogen Induced Defects on Graphene
J. O. Sofo, Gonzalo Usaj, P. S. Cornaglia +3
Using density functional theory (DFT), Hartree-Fock, exact diagonalization, and numerical renormalization group methods we study the electronic structure of diluted hydrogen atoms…
Electrical Control of the Chemical Bonding of Fluorine on Graphene
J. O. Sofo, A. M. Suarez, Gonzalo Usaj +3
We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F at…
Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
Z. M. Ao, A. D. Hernández-Nieves, F. M. Peeters +1
The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen a…
Vibrational properties of graphene fluoride and graphane
H. Peelaers, A. D. Hernández-Nieves, O. Leenaerts +2
The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp3 bonded derivatives of graphene have different phonon di…