Nanopore simulations and experiments

Recent experiments show that it is possible to detect DNA translocation events through graphene nanopores. Theoretically it has been suggested that using a graphene nanogap could be used in a dual role of a separating membrane and a nanoscale electrode.  The crucial question whether different DNA nucleotides can be distinguished from their conductance fingerprints has been addressed very recently in. While not conclusive, these initial simulations seem to indicate that this indeed might be possible. We intend to calculate, using first principles electronic structure methods, of how the conductance of a given GAL is modified by DNA nucleotide passing through the nanoperforations. This subtask will benefit strongly from several parallel task carried out in WP1. We shall also attempt to optimize the GALs, both for structural aspects but also with respect to the chemical functionalization of the nanoholes.  If the simulations yield promising results, we shall proceed towards the experimental verification of these ideas. This is a high-risk project but has potentially far-reaching consequences.

This work-package is planned for the second phase of the Center.   

Figure: In CNG Work Package 6, Graphene will be combined to nanofluidics applied to DNA.

 Antti-Pekka Jauho

Antti-Pekka Jauho (Leader)
DTU Nanotech

Theory, graphene nanofluidic devices for DNA analysis
24 JANUARY 2021