147 citations · 285 across the 4 of their papers we have counts for
4 papers
Solvent and salt effect on Lithium ion solvation and contact ion pair formation in organic carbonates: a quantum chemical perspective
Veerapandian Ponnuchamy, Stefano Mossa, Ioannis Skarmoutsos
Quantum chemical calculations have been employed to investigate the solvation of lithium cations in ethylene carbonate/propylene carbonate and propylene carbonate/dimethyl carbonat…
Molecular dynamics investigation of a model ionic liquid lubricant for automotive applications
Konstantinos Gkagkasa, Veerapandian Ponnuchamyb, Miljan Dašić +1
In the current work we present a new modelling approach for simulating meso-scopic phenomena related to lubrication of the piston ring-cylinder liner contact. Our geometry allows a…
The Anion Effect on Li+ Ion Coordination Structure in Ethylene Carbonate Solutions
Bo Jiang, Veerapandian Ponnuchamy, Yuneng Shen +7
Rechargeable lithium ion batteries are an attractive alternative power source for a wide variety of applications. To optimize their performances, a complete description of the solv…
Li+ solvation in pure, binary and ternary mixtures of organic carbonate electrolytes
Ioannis Skarmoutsos, Veerapandian Ponnuchamy, Valentina Vetere +1
Classical molecular dynamics (MD) simulations and quantum chemical density functional theory (DFT) calculations have been employed in the present study to investigate the solvation…