[Wien] PhD position in Nantes

[Peter Blaha]

"Weak Interactions in Carbon Nanosystems"
Proposition de thèse, Institut des Matériaux (PMN) Nantes, France
Dr Christopher Ewels et Prof. Serge Lefrant
Financement : BDI / MENRT

PhD Summary / Sommaire
----------------------
The project is primarily a theoretical study of weak interactions in carbon nanosystems, with some experimental components. Starting with computer modelling of the interaction 
between carbon nanotubes, themselves and their environment (breathing modes), it will move on to conducting conjugated polymer - nanotube hybrids. Finally we will construct and 
simulate innovative designed fullerene-nanotube systems for controlled nanotube assembly. The project involves collaboration with other researchers within the Institute (IMN) as 
well as several European groups.

Étude théorique et expérimentale des interactions faibles en nanosystèmes carboné. À partir de nanotubes de carbone (modes de respiration Raman), puis des hybrides plus complexes 
entre nanotubes et polymères conjugués. Enfin systèmes novatrice à base de fullerènes pour l'assemblage des nanotubes. En collaboration avec de nombreux groupes européens. 
Superviseurs: Dr Ewels (2006 Lauréat du Prix d'excellence européen), CNRS-CR1 pour 2 ans, et Professeur Lefrant, ancien chef d'IMN et expert mondiale des nanotubes.

Project
-------
The project will use quantum mechanical density functional techniques (DFT) to create models of carbon nanotubes and accurately simulate their atomic and electronic behaviour. We 
will examine the effect on structural, electronic and vibrational behaviour of interaction between different types of carbon nanotube, and between nanotubes and their surroundings 
(surfaces, conducting polymers such as PPV). This will be in close collaboration with experimental groups within the laboratory, and will involve some experimental work. Firstly 
with experimental studies of nanotube "radial breathing modes" by a team at the laboratory headed by Prof. Serge Lefrant specialised in Raman scattering studies of carbon 
nanotubes, as well as with the team of Dr Jean-Luc Duvail (head of the PMN group), who study the structural and optical properties of conjugated polymers (PPV) and 
polymer-nanotube hybrid systems. The final stages of the project will involve in-depth studies of the interaction between carbon nanotubes and fullerenes, with the aim of 
designing molecular devices based on functionalised fullerenes in order to mediate controlled auto-assembly of carbon nanotube networks. This ambitious aim will be performed in 
close collaboration with experimental groups in Greece and Slovenia, as well as in discussion with partners in Toulouse, Stuttgart and Oxford, and will require some experimental 
work at the IMN.

Context
-------
The IMN is one of the three largest materials research labs in France, specialised in nanomaterials with applications including 3rd generation photovoltaics, fuel cells, PLEDs, 
molecular computing, ... The PMN (Physics of Nanoscale materials) group specialises in the synthesis and characterisation of nanoscale materials, in particular carbon nanotubes. Dr 
Ewels is a computational materials scientist who joined the laboratory three years ago (CNRS-CR1). He specialises in computer modelling of defects and chemical modification of 
carbon nanotubes and fullerenes, and recently won the prestigious European Marie Curie Excellence Award (2006). Prof. Serge Lefrant is the former head of the IMN laboratory and 
world nanotube expert.
International Collaborations: include groups in Greece, Slovenia and Paris. Dr Ewels also works with groups in Spain, Belgium, Russia and the UK and it is likely the project will 
involve interaction with them.

Candidate
---------
We are looking for an enthusiastic and highly motivated candidate with a strong background (Masters level) in materials physics/chemistry and genuine interest in computer 
modelling. Previous experience with UNIX/linux as well as theoretical physics/chemistry is a bonus. We prefer candidates with a good team spirit and sense of curiosity, who like 
to work in an internationally oriented environment. While the project can be conducted in French or English, the candidate will be encouraged to learn French during the PhD if 
they do not already speak it.

References
----------
Further details on the PMN Group: www.cnrs-imn.fr/PMN
Dr Ewels website: www.ewels.info
Dr Ewels "nano2hybrids" EU project www.nano2hybrids.net
'Shaping single walled nanotubes with an electron beam'
A. Zobelli, A. Gloter, C. P. Ewels, C. Colliex, Physical Review B 77, 045410 (2008).
'Stability, thermal homolysis and intermediate phases of solid hydroazafullerene C59HN'
D. Arcon, N. Tagmatarchis, C. P. Ewels, et al, Chem. Commun., 3386, (2007).
'Pattern formation on carbon nanotubes', C. P. Ewels, G. Van Lier, et al, Physical Review Letters, 96 216103 (2006).
'Wigner defects bridge the graphite gap', R. H. Telling, C. P. Ewels, et al, Nature Materials 2, 333-337 (2003)

Contact
-------
Further details are available from Dr Chris Ewels at chris.ewels at cnrs-imn.fr - interested candidates should send a copy of their CV to this email address. Tel: +33-251 82 34 05

--