Machine Learning-Driven Discovery of Key Descriptors for CO(2) Activation over Two-Dimensional Transition Metal Carbides and Nitrides

[Image: see text] Fusing high-throughput quantum mechanical screening techniques with modern artificial intelligence strategies is among the most fundamental —yet revolutionary— science activities, capable of opening new horizons in catalyst discovery. Here, we apply this strategy to the process of...

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Detalles Bibliográficos
Autores principales: Abraham, B. Moses, Piqué, Oriol, Khan, Mohd Aamir, Viñes, Francesc, Illas, Francesc, Singh, Jayant K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10316327/
https://www.ncbi.nlm.nih.gov/pubmed/37334697
http://dx.doi.org/10.1021/acsami.3c02821

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10316327/
https://www.ncbi.nlm.nih.gov/pubmed/37334697
http://dx.doi.org/10.1021/acsami.3c02821

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