Data for "Unveiling the plating-stripping mechanism in aluminum batteries with imidazolium-based electrolytes: A hierarchical model based on experiments and ab initio simulations"

Data underlying the paper "Unveiling the plating-stripping mechanism in aluminum batteries with imidazolium-based electrolytes: A hierarchical model based on experiments and ab initio simulations" https://doi.org/10.1016/j.cej.2023.144995 The dataset consists of the DFT data that underline the conclusions drawn from <i>ab initio</i> calculations in the paper.With the data located here and the plotting scripts (https://gitlab.com/asm-dtu/supporting-publication/unveiling-the-plating-stripping-mechanism-in-aluminum-batteries-with-imidazolium-based-electrolytes-a-hierarchical-model-based-on-experiments-and-ab-initio-simulations) it is possible to recreate the free energy diagram in the paper.