We present a first-principle study of the electronic and conduction properties of a few classes of nanowires constituted of guanine (G) molecules, self-assembled in different geometries. We first analyze the effect of the vertical π-π interaction in model G-stack columns. Then, we exploit the results obtained from those models to interpret the features of realistic stacked and hydrogen-bonded structures, namely the guanine quadruple helices and the planar ribbons. With respect to natural DNA, the different structures as well as the inclusion of metal cations, drastically affect the bonding pattern among the bases, introducing novel features in the electronic properties of the systems. These supramolecular G-aggregates, alternative to DNA, are expected to show intersting properties for molecular elec tronics applications.
@article{arxiv.cond-mat/0403127,
title = {Electronic properties of guanine-based nanowires},
author = {Arrigo Calzolari and Rosa Di Felice and Elisa Molinari},
journal= {arXiv preprint arXiv:cond-mat/0403127},
year = {2009}
}
Comments
30 pages (preprint format), 8 figures. To appear in Solid State Communications - Special Issue on "New advances on collective phenomena in one-dimensional systems"