Machine learning accelerated descriptor design for catalyst discovery in CO2 to methanol conversion
Abstract Transforming CO2 into methanol represents a crucial step towards closing the carbon cycle, with thermoreduction technology nearing industrial application. However, obtaining high methanol yields and ensuring the stability of heterocatalysts remain significant challenges. Herein, we present...
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| Main Authors: | Prajwal Pisal, Ondřej Krejčí, Patrick Rinke |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
|
| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01664-9 |
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