267 citations · 1.5k across the 43 of their papers we have counts for
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First-Principles Study of Substitutional Metal Impurities in Graphene: Structural, Electronic and Magnetic Properties
Elton J. G. Santos, Andres Ayuela, Daniel Sanchez-Portal
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interact…
Magnetism of Substitutional Co Impurities in Graphene: Realization of Single -Vacancies
E. J. G. Santos, D. Sanchez-Portal, A. Ayuela
We report {\it ab initio} calculations of the structural, electronic and magnetic properties of a graphene monolayer substitutionally doped with Co (Co) atoms. We focus in…
Interface States in Carbon Nanotube Junctions: Rolling up graphene
H. Santos, A. Ayuela, W. Jaskólski +2
We study the origin of interface states in carbon nanotube intramolecular junctions between achiral tubes. By applying the Born-von Karman boundary condition to an interface betwee…