Current Position: CNRS Researcher at SIMaP, Grenoble, France
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Previous: EFRC Postdoctoral Fellow
Theory of Nanostructured Materials Facility, Molecular Foundry (Jeffrey B. Neaton)
Dept. Chem. Engineering, University of California, Berkeley (Berend Smit)
Education:
2007 Ph.D., Physics, University of Lyon (France)
conducted at the European Synchrotron Radiation Facility (Grenoble, France)
2004 M. Sc., Physics, University of Camerino (Italy)
2003 B. Sc., Physics, University of Camerino (Italy)
Current Research
My present research interest focuses on the study of the electronic and structural properties of metal organic frameworks (MOFs) for CO2 capture (Energy Frontier Research Center) by employing first principles methods. This project is carried on in collaboration with Prof. Jeffrey Long at University of California at Berkeley and Prof. Laura Gagliardi at University of Minnesota. Also, currect work on XAS of MOFs is performed in collaboration with David Prendergast (Molecular Foundy) and Dr. Jeffrey Kortright (LBNL).
Previous projects
Development of an efficient first principles method based on the Virtual Crystal Approximation to determine the atomic structure of crystals with substitutional disorder (e.g. oxynitrides, perovskites, borocarbides).
Elastic and strain-induced properties of functional oxides (e.g. Giant Magneto-Resistance compounds).
Structural and electronic properties of alkali metal doped fullerenes (Rb6C60 and Cs6C60); Polymerization process of C60.
Structural properties of liquid Ga and Bi under pressure.
Recent Publications
R. Poloni, K. Lee, R. Berger, B. Smit and J. B. Neaton, "Understanding trends in CO2 adsorption in MOFs with open-metal sites" Journal of Physical Chemistry Letters 5, 861 (2014);
W. Drisdell, R. Poloni, T. M. McDonald, D. G. Prendergast, J. R. Long, B. Smit, J. B. Neaton and J. B. Kortright, "Probing gas adsorption in metal-organic frameworks using NEXAFS spectroscopy" Journal of American Chemical Society 135, 18183 (2013);
N. Planas, A. Dzubak, R. Poloni, L. Lin, A. McManus, T. McDonald, J. B. Neaton, J. R. Long, B. Smit and L. Gagliardi, "The machanism of CO2 adsorption in an alkylamine-functionalized metal-organic framework",Journal of American Chemical Society 135, 7402 (2013);
A. Dzubak, L. Lin, J. Kim, J. A. Swisher, R. Poloni, S. N. Maximoff, B. Smit and L. Gagliardi, "Ab-initio carbon capture in open-site metal-organic frameworks", Nature Chemistry 4, 810 (2012);
R. Poloni, B. Smit and J. B. Neaton, "CO2 capture by metal-organic frameworks with van der Waals density functionals", Journal of Physical Chemistry A 116, 4957 (2012);
R. Poloni, B. Smit and J. B. Neaton, "Ligand-assisted enhancement of CO2 capture in metal-organic frameworks", Journal of American Chemical Society 134, 6714 (2012);
R. Poloni, A. San Miguel and M. V. Fernandez-Serra, "A first-principles study of the effect of charge doping on the 1D polymerization of C60", Journal of Physics: Condensed Matter 24, 095501 (2012);
R. Poloni, J. Iniguez, A. Garcia and E. Canadell, "Efficient first-principles method for structural studies of materials with substitutional disorder", Journal of Physics: Condensed Matter 22, 415401 (2010);
R. Poloni, E. Canadell and J.-P. Pouget, "Concerning the possibility of hidden one-dimensional Fermi surfaces for the K0.25WO3 hexagonal bronze", Inorganic Chemistry 48, 11492 (2009);
Previous Positions
- 2007-209 Postdoctoral Fellow at the ICMAB-CSIC, Barcelona (Spain)
