Molecular Surface Engineering of Sulfide Electrolytes with Enhanced Humidity Tolerance for Robust Lithium Metal All-Solid-State Batteries

This dataset contains all raw and processed data supporting the results presented in the main manuscript and Supporting Information (SI) of the study investigating octadecyl phosphonic acid (OPA) and lithiated OPA (Li-OPA) surface functionalization on Li6PS5Cl0.5Br0.5 (LPSClBr), solid electrolytes for all-solid-state battery applications. The dataset is organized in a single Excel file with multiple sheets, covering structural, chemical, electrochemical, and battery performance analyses. All data correspond to experiments described in the manuscript, including coating optimization, material characterization, and cell testing. Contents of the Dataset: The Excel file includes (but is not limited to) the following data: Material Characterization Raman spectra Fourier Transmission Infrared Spectroscopy (FTIR) X-ray Diffraction (XRD) X-ray photoelectron spectroscopy (XPS) Electrochemical Characterization Electrochemical impedance spectroscopy (EIS) Chrono Amperometry Data Cyclic voltammetry (CV) Critical current density (CCD) Stripping and Platting Area-specific resistance (ASR) Coulometric Titration Time Analysis (CCTA) Asymmetric Stripping and Plating Aurbach Battery Performance Charge–discharge voltage profiles Rate performance Cycling stability and coulombic efficiency values This dataset is provided to ensure transparency, reproducibility, and open access to the underlying measurements supporting the findings of the study. It can be used for validation, further analysis, or comparative research in the field of sulfide-based solid electrolytes and interfacial engineering.