New Strategies for Direct Methane-to-Methanol Conversion from Active Learning Exploration of 16 Million Catalysts

[Image: see text] Despite decades of effort, no earth-abundant homogeneous catalysts have been discovered that can selectively oxidize methane to methanol. We exploit active learning to simultaneously optimize methane activation and methanol release calculated with machine learning-accelerated densi...

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Detalles Bibliográficos
Autores principales: Nandy, Aditya, Duan, Chenru, Goffinet, Conrad, Kulik, Heather J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9135396/
https://www.ncbi.nlm.nih.gov/pubmed/35647589
http://dx.doi.org/10.1021/jacsau.2c00176

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9135396/
https://www.ncbi.nlm.nih.gov/pubmed/35647589
http://dx.doi.org/10.1021/jacsau.2c00176

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