Abstract
We calculate the local current density in pristine armchair graphene nanoribbons (AGNRs) with varying width, NC, employing a density-functional-theory-based ab initio transport formalism. We observe very pronounced current patterns (“streamlines”) with threefold periodicity in NC. They arise as a consequence of quantum confinement in the transverse flow direction. Neighboring streamlines are ...
Abstract
We calculate the local current density in pristine armchair graphene nanoribbons (AGNRs) with varying width, NC, employing a density-functional-theory-based ab initio transport formalism. We observe very pronounced current patterns (“streamlines”) with threefold periodicity in NC. They arise as a consequence of quantum confinement in the transverse flow direction. Neighboring streamlines are separated by stripes of almost vanishing flow. As a consequence, the response of the current to functionalizing adsorbates is very sensitive to their placement: adsorbates located within the current filaments lead to strong backscattering, while adsorbates placed in other regions have almost no impact at all.
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