Data Supporting the Research: Fluorination-driven σ-Bonding Design Enables Practical Aqueous Zinc-Vanadium-Oxide Batteries

Source Data

Excel workbook containing numerical data associated with the main and supplementary figures. The worksheets identify the corresponding figures.

Computational Data

Computational dataset associated with the density functional theory (DFT), nudged elastic band (NEB) and ab initio molecular dynamics (AIMD) calculations for CVO, AVO, F1-AVO, F2-AVO and F3-CVO. The data concern atomic structures, electronic structure and charge distributions, trajectories and bond statistics, bonding analyses, water interactions and Zn ions migration.