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Published in 2018 at "Journal of Materials Chemistry C"
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…
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Keywords:
nitrogenated holey;
lanthanide atoms;
c2n;
doped graphene ... See more keywords