IONESCO

Alia Mejri

Alia took her PhD in Chemlistry in 2017 at the El Manar university of Tunis after a Master in Solid State Chemlistry (2012) and a Bachelor in Chemistry (2010) from the university of Tunis. Over the years, she has developed skills in Quantum Computation and Molecular Dynamics especially  for Chemical Reaction in Confined Environment as in carbon nanotubes. Today she works as an R&D manager in a small company, REBETON, specialized in external wall coatings.

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Role in IONESCO

Alia implemented numerical systems, based on isolated SWCNT, close to the micro-devices used for experimental nanofluidics. She then studied the role of the geometry, but also of the defects (charge, structure or functionalization) on the nanotube conductance. SWCNTs ‘aperture  was functionalized with chemical moieties in order to optimize their selectivity. The surface charge of the nanotube was also be monitored using an outer electrolyte gate around it to create an ionic transistor with high performances. At each step, she investigated and characterized the ion transport using simulation, both at quantum and classical levels.

Publications

  • A Mejri, K Mazouzi, G Herlem, F Picaud, T Hennequin, J Palmeri & M. Manghi , Journal of Molecular Liquids 2022, 351, 118575
  • A. Mejri, G. Herlem & F. Picaud, From Behavior of Water on Hydrophobic Graphene Surfaces to Ultra-Confinement of Water in Carbon Nanotubes, Nanomaterials 2021, 11, 306
  • Méjri A., Picaud F., El Khalifi M., Gharbi T. & Tangour B. , Controlling activation barrier by carbon nanotubes as nano-chemical reactors,  J.Mol.Mod. 23, Article number: 229(2017)
  • Fliss O.,Mejri A.,EssalahK.,Boisdon M.T.,Tangour B., Étude expérimentale et théorique de la cinétique de l’alcoolyse de la liaison P–N extracyclique du 2-diméthylamino-4,4,5,5-tétraméthyl-1,3-dioxaphospholane monocyclique, Comptes Rendus Chimie,  Volume 19, Issue 5, May 2016, Pages 585-593
  • Mejri A. ,Vardanega D., Tangour B., Gharbi T.,Picaud F. ,Encapsulation into Carbon Nanotubes and Release of Anticancer Cisplatin Drug Molecule,J. Phys. Chem. B2015, 119, 2, 604-611