GNT: Graphene and Nanotubes

Two one year postdoctoral positions are available from now on to work on the nucleation ang growth mechanisms of Single-Walled Carbon Nanotubes (SWNT). One position will be in Paris at the "Laboratoire d'Etude des Microstructures" (ONERA-CNRS), and the other one at the "Centre Interdisciplinaire de Nanoscience de Marseille" (CNRS).

They can possibly held by the same person, starting in Paris, then moving to Marseille

Carbon nanostructures (graphene and carbon nanotubes) should play a major role in nanoscience because of their exceptional electrical, mechanical and optical properties. However thier controlled synthesis is still quite challenging, partly because of the lack of fundamental understanding of their nucleation‐growth mechanisms. The goal of the joint "SOS_Nanotubes" project funded by the "Agence Nationale de la Recherche" (ANR) is to gain this fundamental understanding by coupling experimental and theoretical approaches and to make a selective synthesis of SWNTs possible, with an effective control of the chirality as the ultimate challenge.

In close interaction with experimental partners, the nucleation and growth mechanisms of carbon SWNTs will be studied at the atomic scale using computer simulation. Beyond DFT based first principles calculations used as benchmark, a major use will be made of tight‐binding models as developed for the Ni‐C system and implemented into Monte Carlo codes in the canonical or grand canonical ensembles [1]. This approach will be extended to Fe‐C alloys. The candidates will :
‐ develop a tight‐binding model for the Fe‐C system. This requires to obtain parameters fitted from ab initio data (ABINIT or SIESTA codes). One year at LEM,
Paris with H. Amara and F. Ducastelle.
‐ study the catalytic growth of SNWTs on metal nanoparticles (Ni or Fe). Questions to be addressed concern the state of the catalyst (liquid or solid, carbide or not, size, ...), the growth conditions and the defect healing and deactivation mechanisms. One
year at CINaM, Marseille, with C. Bichara.

In both cases the work will involve modifications and developments of tight binding codes, as well as in depth discussions with the experimental partners of the "SOS_Nanotubes" project. Applicants should have a Ph.D. in condensed matter physics and experience working with electronic structure techniques. Qualified candidates should send their curriculum vitae, a description of their research experience and interests, and letters of reference to :
Christophe Bichara xtof@cinam.univ‐mrs.fr; see : http://www.cinam.univ‐mrs.fr
or
Hakim Amara hakim.amara@onera.fr; see : http://lem.onera.fr/

[1] H. Amara et al., Phys. Rev. Lett. 100, 056105 (2008); Phys. Rev. B 79, 014109 (2009).

7:44am, 9/02/10