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

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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 ab initio 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.

Funding

EU H2020-FETOPEN-1-2016-2017 G.A. 766581 SALBAGE and FETPROACT-EIC-06-2019 G.A. 951902 AMAPOLA

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