Data underlying the article: A Water-free In Situ HF Treatment of InP Quantum Dots

This dataset contains the data underlying the article "A Water-free In Situ HF Treatment of InP Quantum Dots". In this article, treatment of InP quantum dots is performed, after which optical and structural analysis is performed using various techniques. This dataset includes all the raw data of this analysis. A number of different techniques were used, including absorbance measurements, photoluminescence measurements, solution and solid state NMR analysis, XPS analysis and XRD analysis. Of these, raw data are provided. In the readme file, a short description can be found on the interpretation of these data. All data is formatted as .txt files, except the NMR data, which is included as raw fid files. In addition, the results of various DFT calculations are included. These include density of states results, coop calculations and MO data. For the DFT data, python scripts are included for the analysis and interpretation.

本数据集包含支撑论文《无水原位氟化氢（Hydrogen Fluoride, HF）处理磷化铟量子点（InP Quantum Dots）》的全部实验原始数据。该论文针对磷化铟量子点开展了处理实验，随后通过多种技术手段完成光学与结构表征分析。本数据集涵盖该表征分析的所有原始数据，所采用的技术包括吸光度测量、光致发光测量、溶液态与固态核磁共振（Nuclear Magnetic Resonance, NMR）分析、X射线光电子能谱（X-ray Photoelectron Spectroscopy, XPS）分析以及X射线衍射（X-ray Diffraction, XRD）分析，上述所有技术对应的原始数据均已提供。在数据集附带的README文件中，可查阅关于这些数据的解读说明。除核磁共振数据以原始fid文件格式存储外，其余所有数据均采用.txt格式保存。此外，本数据集还包含多种密度泛函理论（Density Functional Theory, DFT）计算结果，具体包括态密度结果、晶体轨道重叠布居（COOP）计算数据以及分子轨道（Molecular Orbital, MO）数据。针对密度泛函理论相关数据，本数据集附带了用于数据分析与解读的Python脚本。