Theoretical studies on the functionalisation of metal surfaces with organic and biological complexes under electrochemical conditions

Objective

The aim of this project is to understand the mechanisms behind the functionalisation of metal surfaces with organic and biological
complexes under realistic electrochemical conditions. Focusing on low-index surfaces of gold and platinum, which are also the
electrodes in corresponding experiments, we will use a series of theoretical methods applicable for different time- and lengthsscales
to investigate the geometry and electronic properties of different complexes attached to these electrodes as function of the
surrounding (e.g. electrolyte) and the environmental conditions: temperature, pressure/concentrations, and electrode potential. As
complexes we will consider small organic molecules such as 4-mercaptopyridine, 4-ATP, or alkane-chains of variable length, as
well as biological complexes, i.e. DNA-sequences.
Within the first step we will establish a deeper understanding of how these complexes interact with the metal electrodes and how
adlayer structures can be manipulated by applying specific temperature, pressure, or potential-conditions. Since the intermolecular
interactions are rather weak, the presence of the external electrode potential could lead to drastic changes of the interfacial
morphology. In this respect, particular attention will be spend to the highly-reversible folding and unfolding of DNA-sequences,
which has recently had been realized experimentally.
Based on thus functionalized electrode surfaces, we will investigate their potential as templates for growing nanoparticles of
desired size and shape, which would allow for bridging the gap between well-defined single crystal surfaces and nanoparticles. It
is now a matter of establishing the predictive capacity for these methods, an expansive process that itself will open new doors of
research.

Fields of science

Funding Scheme

ERC-SG - ERC Starting Grant

Host institution

UNIVERSITAET ULM

EU contribution

€ 1 409 400,00

Address

HELMHOLTZSTRASSE 16
89081 Ulm
Germany

Region

Baden-Württemberg Tübingen Ulm, Stadtkreis

Activity type

Higher or Secondary Education Establishments

Principal investigator

Timo Jacob (Dr.)

Administrative Contact

Michaela Schuhmacher (Mrs.)

Links

Contact the organisation Website

Total cost

No data

Beneficiaries (1)