Applications are invited for a 3-year PhD studentship in the area of computational materials science and synthesis based at Grenoble institute of technology (G-INP). The student will work in the framework of the collaboration between SIMAP and LEPMI laboratories under the auspices of Labex CEMAM. The project will involve the synthesis and the modelling of advanced electrocatalytic materials for Proton-Exchange Membrane Fuel Cells (PEMFC).
The aim of this PhD Thesis is to model and to synthesize highly active and durable hollow Pt nanocrystals that may be capable of fulfilling cost, performance, and durability requirements of PEMFC applications. These smart materials will be synthesized from Pt-shell/Co-core nanoparticles. Then, the non-noble metal will be dissolved by an appropriate electrochemical procedure, yielding hollow Pt nanocrystals. In order to control the synthesis process and to bridge their electronic structure and their electrocatalytic activity/durability properties, the nanoparticles will be thoroughly characterized from the initial stage (core/shell nanoparticles) up to the hollow Pt nanoparticles, passing through different atomic rearrangement steps. As the determination of the structure/chemistry at the atomic scale is challenging, advanced electron microscopy techniques (HRSTEM-HAADF, EFTEM and STEM-EELS) will be used. The experimental results will be combined with computational techniques based on density functional theory (DFT) and on-the-fly kinetic Monte-Carlo (KMC) techniques
The applicant must have strong skills in atomistic simulations, solid state physics and chemistry. Interested candidates should send curriculum vitae and two or three references to: Noel Jakse or Frederic Maillard
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