POLONI Roberta

Recent Publications

• Probing the SO2 adsorption mechanism in Hofmann clathrates via inelastic neutron scattering and density functional theory calculations, A. Fernández-Blanco, L. Piñeiro-López, M. Jiménez-Ruiz, S. Rols, J. A. Real, J. A. Rodríguez-Velamazán, R. Poloni, arXiv:2202.01598 (2022); J. Phys. Chem. C. 2022, in press;

• Twin boundary migration in an individual platinum nanocrystal during catalytic CO oxidation Carnis, Kshirsagar, We, Dupraz, Labat, Texier, Favre, Gao, Oropeza, Gazit, Almos, Campos, Micha, Hensen, Leake, Schulli, Rabkin, Thomas, Poloni, Hofmann, Richard, Nature Commun. 12, 5385 (2021);

• Tunable Proton Conductivity and Color in a Nonporous Coordination Polymer via Lattice Accommodation to Small Molecules  A. Develioglu, E. Resines-Urien, R. Poloni, L. Martín-Pérez, J. Sanchez-Costa, E. Burzurí Avd. Sci. 2102619 (2021);

• Electric field-induced oxygen vacancies in YBa2Cu3O7, L. A. Mariano and R. Poloni, J. Chem. Phys. 154, 224703 (2021);

• Improved Spin-State Energy Differences for Fe(II) molecular and crystalline complexes via the Hubbard U-corrected Density, L. A. Mariano, B. Vlaisavljevich, R. Poloni, J. Chem. Theory Comput. 17, 2807 (2021); arXiv 2021: arXiv:2101.07035;

• Bethe-Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal-Organic Frameworks using Molecular and Periodic Models, A. Kshirsagar, C. Attaccalite, X. Blase, J. Li, R. Poloni, J. Phys. Chem. C 125, 7401-7412 (2021); ChemRxiv: https://doi.org/10.26434/chemrxiv.14043881.v1;Save