American Chemical Society
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Enantioselective Molecular Transport in Multilayer Graphene Nanopores

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posted on 2017-10-03, 00:00 authored by Youguo Yan, Wen Li, Petr Král
Multilayer superstructures based on stacked layered nanomaterials offer the possibility to design three-dimensional (3D) nanopores with highly specific properties analogous to protein channels. In a layer-by-layer design and stacking, analogous to molecular printing, superstructures with lock-and-key molecular nesting and transport characteristics could be prepared. To examine this possibility, we use molecular dynamics simulations to study electric field-driven transport of ions through stacked porous graphene flakes. First, highly selective, tunable, and correlated passage rates of monovalent atomic ions through these superstructures are observed in dependence on the ion type, nanopore type, and relative position and dynamics of neighboring porous flakes. Next, enantioselective molecular transport of ionized l- and d-leucine is observed in graphene stacks with helical nanopores. The outlined approach provides a general scheme for synthesis of functional 3D superstructures.