High-throughput screening of stable Ag–Pd–F catalysts for formate oxidation reaction using machine learning
The crystal graph convolutional neural networks predict stable Ag–Pd–F catalysts for the formate oxidation reaction from Materials Project data with DFT verifying their thermodynamic, dynamic stability and catalytic activity.
Authors
- Wanxuan Zhang
- Peng Xu (ORCID: https://orcid.org/0000-0002-4349-5627)
- Fuyi Chen (ORCID: https://orcid.org/0000-0002-2191-0930)
- Xiaoqing Liu (ORCID: https://orcid.org/0000-0002-6708-4216)
- Fanzhe Ma
Institutions
- Northwestern Polytechnical University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4ta07674e
- Citations
- 7
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 3.62