Enrico Bodo
Dipartimento di Chimica, Sapienza Università di Roma
P.le Aldo Moro 5, 00185, Roma
Edificio Caglioti, stanza n° 359
E-mail: enrico.bodo@uniroma1.it
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
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 oligomeri- sation 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)
A. Pierini, S. Brutti, and E. Bodo∗, Study of the Electronic Structure of Alkali Peroxides and Their Role in the Chemistry of Metal–Oxygen Batteries, J.Phys. Chem. A, 125, 9368–9376 (2021)
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).
H. Adenusi, A. Le Donne, F. Porcelli and E. Bodo* Ab Initio Molecular Dynamics Study of Phospho- Amino Acid-Based Ionic Liquids: Formation of Zwitterionic Anions in the Presence of Acidic Side Chains, J. Chem. Phys. B., 124, 1955-1964, (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).
A. Le Donne, H. Adenusi, F. Porcelli, and E. Bodo*, Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation, ACS Omega 3, 10589- 10600, (2018).