PhD Candidate: Fabien DUFOUR
Date and place of defence: September 19, 2013 - UPMC, Paris 6, France.
Janus nanoparticles are metal nanoparticles stabilized by a mixed ligand shell which is spatially ordered, so that their surface exhibits functionalities distributed over two distinct regions. These nanoparticles are interesting building blocks for engineering self-assembled ordered structures and implementing intelligent sensors and logic operations at the nanoscale.
The electronic, optical and transport properties of gold janus nanoparticles will be investigated theoretically and experimentally. The synthesis and the optical and electronic characterization of the gold based Janus nanoparticles will be carried out under the supervision of partner 2. The dynamics and affinities of different ligands for the gold surface will be measured.
The theoretical modelling will be carried out under the supervision of partner 1. It will be based on ab initio computations using density functional methods and also hybrid QM/MM methods for larger systems. Redox and optical properties, including explicit solvation effects, will be computed as a basis for the design of intelligent sensors and logic machines. Complementary simulations on larger systems using solid state density methods, in particular to investigate explicit solvation effects and self assembly generated segregations at the nano-gold surfaces will be undertaken under the supervision of partner 2.
1. ULG - CPT (Theoretical Physical Chemistry Group, Liege)
2. UPMC - LCMC (Condensed Matter Chemistry Lab, Paris)