Machine learning and DFT database for C-H dissociation on single-atom alloy surfaces in methane decomposition
Abstract Methane decomposition using single-atom alloy (SAA) catalysts, known for uniform active sites and high selectivity, significantly enhances hydrogen production efficiency without CO2 emissions. This study introduces a comprehensive database of C-H dissociation energy barriers on SAA surfaces...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-04-01
|
| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-025-04885-1 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|