Enrico Bodo
Enrico Bodo
Dipartimento di Chimica, Sapienza Università di Roma
P.le Aldo Moro 5, 00185, Roma
Edificio Cannizzaro, stanza n° 359
E-mail: enrico.bodo@uniroma1.it
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Research interests:
Computational modeling of materials for:
Ionic Liquids
Electrochemsitry
Computational spectroscopy
Molecular Dynamics
Ab-initio Calculations
Teaching:
Chemical Physics.
Quantum Mechanics.
Molecular Dynamics..
Few recent publications
Few recent publications
V. Piacentini, C. Simari, E. Mangiacapre, I. Nicotera, S. Brutti, A. Pierini, E. Bodo*, Modelling Lithium-ion Transport Properties in Sulfoxides and Sulfones with Polarizable Molecular Dynamics and NMR Spectroscopy, ChemPlusChem, e202400629, (2025).
A Perspective on Computer Simulation of Liquid Electrolytes for Energy Storage
A. Pierini and E. Bodo, A Perspective on Computer Simulation of Liquid Electrolytes for Energy Storage, ACS Electrochemistry (2025)
Michel Klein, Markus Binder, Matjaž Koželj, Adriano Pierini, Tom Gouveia, Thomas Diemant, Annika Schür, Sergio Brutti, Enrico Bodo, Dominic Bresser, Juan Luis Gómez-Urbano, Andrea Balducci, Small, 20, 2401610, (2024)
A Polarizable Forcefields for Glyoxal Acetals as Electrolyte Components for Lithium-Ion Batteries
Adriano Pierini, Vanessa Piacentini, Juan Luis Gómez-Urbano, Andrea Balducci, Sergio Brutti, Enrico Bodo, Chemistry Open, 13, e202400134 (2024)
A. Pierini, A. Petrongari, V. Piacentini, S. Brutti, E. Bodo∗ A Computational Study on Halogen/Halide Redox Mediators and Their Role in 1O2 Release in Aprotic Li–O2 Batteries, J. Phys. Chem. A, 127, 9229–9235 (2023)
Aluminium catalysed oligomerisation in cement-forming silicate systems
M. S. Salha, R. Y. Yada, D. H. Farrar, G. A. Chass, K. V. Tian and E. Bodo, Aluminium catalysed oligomeri- sation in cement-forming silicate systems, Phys. Chem. Chem. Phys., 25, 455-461 (2023)
A polarisable force field for bio-compatible ionic liquids based on amino acids anions
S. Russo, E. Bodo∗, A polarisable force field for bio-compatible ionic liquids based on amino acids anions, Mol. Simul., 48, 1650-1659 (2022)
Reactions in non-aqueous alkali and alkaline-earth metal-oxygen batteries: a thermodynamic study
A. Pierini, S. Brutti, and E. Bodo∗, Reactions in non-aqueous alkali and alkaline-earth metal-oxygen batteries: a thermodynamic study, Phys. Chem. Chem. Phys., 23, 24487 - 24496 (2021)
Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries
A. Pierini, S. Brutti and E. Bodo ∗, Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries, npj Computational Materials 7, 126 (2021)
Assessing the Structure of Protic Ionic Liquids Based on Triethylammonium and Organic Acid Anions
E. Bodo∗, M. Bonomo, and A. Mariani Assessing the Structure of Protic Ionic Liquids Based on Triethylammonium and Organic Acid Anions , J. Phys. Chem. B, 125, 2781–2792, (2021)
Cholinium amino acid-based ionic liquids
A.Le Donne, E. Bodo, Cholinium amino acid-based ionic liquids, Biophys Rev, 13, 147-160, (2021).
A. Pierini, S. Brutti and E. Bodo∗ Superoxide Anion Disproportionation Induced by Li+ and H+: Pathways to 1O2 Release in Li-O2 Batteries, ChemPhysChem, 21, 2060 – 2067 (2020).
Structural Features of Triethylammonium Acetate through Molecular Dynamics
E. Bodo*, Structural Features of Triethylammonium Acetate through Molecular Dynamics, Molecules, 25, 1432 (2020).
Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol
A. Ciavardini, M. Coreno, C. Callegari, C. Spezzani, G. De Ninno, B. Ressel, C. Grazioli, M. de Simone, A. Kivimaki, P. Miotti, F. Frassetto, L. Poletto, C. Puglia, S. Fornarini, E. Bodo , M. Pezzella and S. Piccirillo, Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol, J. Phys. Chem. A, 123, 1295-1302 (2019).
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