Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks
Electrochemical conversion of ammonia to nitrogen has important energy and environmental applications but is hindered by lack of efficient electrocatalysts. Here the authors use quantum chemistry and machine learning to gain insights into the reaction mechanism and accelerate the design of highly ac...
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| Principais autores: | , , , , , , , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Nature Portfolio
2023-02-01
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| 叢編: | Nature Communications |
| 在線閱讀: | https://doi.org/10.1038/s41467-023-36322-5 |
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