Overview

This repository contains original data and analysis code for "Two-photon, visible light water splitting at a molecular ruthenium complex".

The publication (open access) is available here and you can directly access the PDF file here.

Computational_Data contains computational data for all computed intermediates (typically .log files and visualizations)

Data_Analysis contains the different Python programs used for data analysis. Note that these programs use various files from Computational_Data as well as Experimental_Data, hence these directory must be present to run most of them.

Documents contains formatted documents such as the supporting information.

Experimental_Data contains various experimental data, especially spectroscopy and kinetic data as well Excel sheets used for small calculations on experimental data.

Figures contains figures that appear in either the manuscript or supporting information (typically as .pdf files)

Subdirectories contain seperate README.md files which detail their contents.

We actively encourage others to work on this interesting new avenue in water splitting and are happy to answer questions or comments and are open to cooperations in this field.

Dependencies

Python code (Python >3.7) requires the following libraries: numba, numpy, scipy, matplotlib, pandas, pathlib, csv and pymcr.

Installation

To run data analysis code yourself it is easiest to clone the entire repository:

git clone https://github.com/jschneidewind/Water-Splitting

License

Copyright (c) Jacob Schneidewind

All software is licensed under a MIT license (see LICENSE file).

Shield:

All other files and their contents are licensed under a Creative Commons Attribution 4.0 International License. (see LICENSE-CC-BY)