QTNANO - Multifunctional imidazolium-based ionic liquid crystal as a catalytic additive for enhancing Li-O2 battery performance - Journal of Power Sources, Volume 679, 1 July 2026, 240085. MD Data.

This repository contains the primary GROMACS input and output files used in the molecular dynamics simulations, including force field parameters, topology files, molecular dynamics protocols, equilibrated and production simulation box structures for the manuscript “Multifunctional imidazolium-based ionic liquid crystal as a catalytic additive for enhancing Li-O2 battery performance” (DOI: https://doi.org/10.1016/j.jpowsour.2026.240085). All files and the overall organization of the repository were prepared by Tuanan C. Lourenço. For any questions or further information, please contact Tuanan C. Lourenço at [e-mail].