Ab initio insights on the effect of embedding lanthanide atoms on nitrogenated holey doped graphene (g-C2N)
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DOI: 10.1039/c8tc00474a
Abstract: Within the density functional theory formalism with the Hubbard correction (DFT+U) we explore how the structural, electronic and magnetic properties of nitrogenated holey doped graphene (g-C2N) can be tuned through embedding of lanthanide atoms. The… read more here.
Keywords: nitrogenated holey; lanthanide atoms; c2n; doped graphene ... See more keywords