Hierarchical Self-Assembly of Noncanonical Guanine Nucleobases on Graphene.

ABSTRACT: Self-assembly characterizes the fundamental basis toward realizing the formation of highly ordered hierarchical heterostructures. A systematic approach toward the supramolecular self-assembly of free-standing guanine nucleobases and the role of graphene as a substrate in directing the monolayer assembly are investigated using the molecular dynamics simulation. We find that the free-standing bases in gas phase aggregate into clusters dominated by intermolecular H-bonds, whereas in solvent, substantial screening of intermolecular interactions results in π-stacked configurations. Interestingly, graphene facilitates the monolayer assembly of the bases mediated through the base-substrate π-π stacking. The bases assemble in a highly compact network in gas phase, whereas in solvent, a high degree

SUBMITTER: Saikia N 

PROVIDER: S-EPMC6641521 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature