23.09.13 Postdocs, Milano, ITALY Two post-doc positions are available in the group of Prof. Cristiana Di Valentin (nanoQlab - at the Department of Materials Science of the University of Milano-Bicoccain Milano (Italy):
18-month post-doc position (renewable) : The position is sponsored by an Innovation grant of the PNRR national center of HPC, Big data and Quantum Computing, to conduct fundamental research on: "Atomistic simulations of adhesion, defectivity and surface chemistry of graphene-based coatings" in collaboration with other academic institutions (experimental and computational groups) and with private industries (Leonardo spa and National Railways). The investigation of adhesion properties, electronic structure and surface reactivity of graphene/metal interfaces is performed by means of state-of-the-art density functional methods and periodic models. Both static and molecular dynamics calculations are envisaged. The theoretical investigation also includes the spectroscopic characterization of the systems (calculation of optical, XPS, vibrational, NEXAFS spectra) and the simulation of STM images for direct comparison with experiments from our collaborators. The ideal candidate has a strong background in computational physics, chemistry, or materials science. The starting date is expected to be between January and May 2024. 24-month post-doc position (renewable) : 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 materials electronic properties and in terms of formation energies. 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). The ideal candidate has a strong background in computational chemistry, materials science or physics. The starting date is expected to be January 2024. Our research group (see more at 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-Bicoccavia R. Cozzi 55, 20125 Milano (IT)
e-mail: cristiana.divalentin(a)unimib.it
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