Description:
Project title: Rational design of bio-organic systems for biomimetic applications, SONATA, NCN
Project description: The goal of this project is to expand our knowledge of hybrid, complex protein-graphene interfaces as possible candidates for bio-electronic devices, such as biosensors, bio-organic photovoltaic cells (bio-OPV) and bio-organic transistors (bio-OFET). The research project focuses on the computational study of a new hybrid protein-graphene interfaces in which the proteins under investigation are small light harvesting proteins (SLPH), interacting with a graphene layer as conducting material as well as charge carrier by means of different molecular linkers (SAM). The interaction and stability of the SLHP/SAM/graphene interface are key parameters to investigate the nature of the interface. Through the use of multiscale computational methods, we will investigate on the one hand the conformational
stability and the strength of the interactions at the interface, and on the other hand we will use state-of-the-art methods to account for optoelectronic properties and energy and electron transport mechanisms. In this work we will use a combined docking /molecular dynamics / reactive force-field / quantum chemistry approaches to explore both the static and dynamic properties of the newly designed interfaces.
Deadline: 15/04/2020
Attachment: download
Tags: computational chemistry, hybrid interfaces, graphene, light harvesting proteins
