A Convolutional Neural Network-based gradient boosting framework for prediction of the band gap of photo-active catalysts
A recent trend in chemical synthesis is photo-catalysis, which uses photo-active catalyst materials that are semiconductor materials. A well-known electronic property of semiconducting materials is the band gap. A photo-catalyst’s desired band gap range is between 1.5 eV and 6.2 eV. A rational desig...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-09-01
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| Series: | Digital Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772508123000273 |