Towards an Efficient Design of Biosensors: an Investigation into the Interplay Between Graphene and Heterogeneous Molecules in a Biological Environment


SNIC 2016/1-465


SNAC Medium

Principal Investigator:

Stefan Knippenberg


Kungliga Tekniska högskolan

Start Date:


End Date:


Primary Classification:

10402: Fysikalisk kemi




The project focuses on the study of the interactions in between graphene (and its derivatives, such as graphene nanoribbons, nanographene and doped graphene) and physisorbed amino-acene compounds of varying lengths within lipid bilayer membranes in the canonical three phases (liquid disordered, liquid ordered and the solid gel). By using quantum mechanics / molecular mechanics methods (QM/MM), we aim to describe the interaction between the graphene and the amino-acene within a lipid membrane interface (MM) while changing graphene shape, doping and size with the different membranes, and at an ab-initio level to study the change the electronic coupling and other electronic properties (e.g. charge transfer) of the resulting complex within the different membranes. This project will pave the way towards the possible use of this hybrid system as biosensor with highly selective response.