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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Bibliographic Details
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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