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Post-doc position in Milan (Italy) (No replies)
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One 24-month post-doc position (renewable) is available in the group of Prof. Cristiana Di Valentin (nanoQlab - http://www.nanoqlab.mater.unimib.it) at the Department of Materials Science of the University of Milano-Bicocca (Milano, Italy).
The position is sponsored by a PRIN 2022 PNRR grant to conduct fundamental research on: "Hydrogen, electricity, and clean water from recycled nickel and urea" (CYCLE-E) in collaboration with the experimental laboratory lead by Prof. Laura Calvillo and Prof. Stefano Agnoli at University of Padova.
The final goal of the project is to remove Ni and urea contaminants from wastewater and exploit them to generate low-cost H2 and to accumulate electric power to be used on demand through novel electrochemical devices based on NiO/Ni(OH)2 redox mediator and electrocatalyst.
The computational investigation will be performed by means of state-of-the-art density functional methods with molecular and periodic approaches. At a first stage, XRD and XPS theoretical simulations will be used to compare model electrocatalyst structures with experimental samples (films, nanoparticles, etc..). The role played by extended/point defects, by nanostructuring and by doping will be analyzed both in terms of their effect on the material’s electronic properties and in terms of formation energies (phase diagrams). At a second stage, electrocatalytic activity of these systems will be inspected through a mechanistic study (reaction intermediates, transition states, activation barriers, free energy variations) and by evaluating electrochemical quantities to be directly compared with experimental outcomes (potential determining steps, onset potentials, overpotential, Pourbaix diagrams, …).
The ideal candidate has a strong background in computational chemistry, physics, materials science or engineering.
The starting date is expected to be January-March 2024.
Our research group (see more at http://www.nanoqlab.mater.unimib.it) is internationally recognized for its work on nanosized and nanostructured materials with a strong focus on bidimensional systems and nanoparticles as model systems of nanotechnological devices for energy, catalysis, sensing and biomedicine. As part of our group, you will have the opportunity to collaborate with excellent theoretical and experimental scientists.
If you are interested, please send an updated CV, a list of publications and two contact email addresses of academic references to:
Prof. Cristiana Di Valentin
Department of Materials Science - NANOQLAB
BioNanoMedicine Center - NANOMIB
University of Milano-Bicocca
via R. Cozzi 55, 20125 Milano (IT)
e-mail: [email protected]