| Titolo |
Pubblicato in |
Anno |
| Simulations of γ-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics |
MOLECULES |
2025 |
| A Polarizable Forcefields for Glyoxal Acetals as Electrolyte Components for Lithium‐Ion Batteries |
CHEMISTRYOPEN |
2024 |
| Enhancement of Li/S Battery Performance by a Modified Reduced Graphene Oxide Carbon Host Decorated with MoO3 |
CHEMSUSCHEM |
2024 |
| Modelling Lithium‐ion Transport Properties in Sulfoxides and Sulfones with Polarizable Molecular Dynamics and NMR Spectroscopy |
CHEMPLUSCHEM |
2024 |
| Aprotic electrolytes beyond organic carbonates: transport properties of LiTFSI solutions in sulphur based solvents |
CHEMSUSCHEM |
2024 |
| A Computational Study on Halogen/Halide Redox Mediators and Their Role in 1O2 Release in Aprotic Li–O2 Batteries |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2023 |
| Insights into the LiI Redox Mediation in Aprotic Li–O2 Batteries: Solvation Effects and Singlet Oxygen Evolution |
ACS APPLIED MATERIALS & INTERFACES |
2023 |
| Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries |
NPJ COMPUTATIONAL MATERIALS |
2021 |
| Study of the Electronic Structure of Alkali Peroxides and Their Role in the Chemistry of Metal–Oxygen Batteries |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2021 |
| Reactions in non-aqueous alkali and alkaline-earth metal-oxygen batteries: a thermodynamic study |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2021 |
| Superoxide anions disproportionation induced by Li+ and H+: pathways to 1O2 release in Li‐O2 batteries |
CHEMPHYSCHEM |
2020 |
