This folder contains interactive HTML notebooks that present the theoretical spectra (IR, Raman, C/H NMR, 2D NMR, and XPS) of representative molecular structures relevant to biochar. The database is intended for visual exploration: you can zoom, pan, toggle spectra on/off, and read peak positions directly in the browser.
- Download or clone the repository.
- Navigate to the
Spectral Database/folder. - Open the
BiocharSpectralDatabase.htmlfile with your web browser (Chrome, Firefox, Safari, or Edge). - Alternatively, you can access it directly here:
👉 View Biochar Spectral Database
The HTML file is organized with an interactive table of contents:
- At the top of the page, you will find clickable links for each section (IR, Raman, NMR, 2D NMR, XPS).
- Clicking on a link will automatically scroll to the corresponding spectral plots.
- Each section includes multiple spectra that you can zoom, pan, and hover over for details.
- At the end of each section, there is a “Back to top” button. Clicking it will return you to the main table of contents, so you can easily jump to another spectral category without manual scrolling.
The HTML files are meant for visual comparison and inspection only.
They do not include raw machine-readable spectral arrays.
If you are interested in raw numerical datasets, please contact:
Valentina Sierra
If you use this database, please cite:
Sierra-Jimenez, V., Chejne, F., & Garcia-Perez, M. (2025). First principles and neural network-driven biochar spectral database: Raman, XPS, IR, and NMR. FlatChem, 100960. https://doi.org/10.1016/j.flatc.2025.100960