Code and derived data for: Colour-Stable When Heated, Colour-Shifting When Excited: Deep-Blue TADF Hosts Need Vector, Not Scalar, Screening
收藏资源简介:
Source data SD12-SD17 (artefact-controlled spectra, matched-window and sampling-controlled metrics, RISC ledger, SETFOS three-host outputs, characterisation extractions, DFT descriptors, plotted data), chromaticity coordinate ledgers, fitted decay data and the analysis scripts. Methods: Scripts are written in Python 3 (NumPy, SciPy, pandas, matplotlib; RDKit for structure drawings where used). Each script reads the tables of this record or the raw files of the experiment records and writes numerical tables and figure panels (vector PDF with a 600-dpi PNG). Spectral re-analysis of the 78-298 K quartz-film emission series of S1, S3 and S4 with one protocol for all three hosts (SD12); RISC activation energies from Marcus-form and Arrhenius-form fits with Monte Carlo intervals; matched-window and sampling-controlled chromaticity metrics (SD15); SETFOS three-host optical and device simulations with hybrid optical constants (SD13); NMR and MS peak extraction (SD14); DFT host descriptors (SD16). Companion paper: Colour-Stable When Heated, Colour-Shifting When Excited: Deep-Blue TADF Hosts Need Vector, Not Scalar, Screening (manuscript prepared for Advanced Materials). Raw instrument files are in the experiment records of the series (AFM, UV-Vis, DRS, ellipsometry, PL, time-resolved PL, CV, DSC/TGA, XRD, FTIR, NMR/MS, electron microscopy, J-V, impedance, DFT). Licence: CC BY 4.0 for data and documentation; MIT for code (LICENSE files in the code folders). Version 2.0 (30 October 2026): documentation and provenance updated; data unchanged.



