Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations

Understanding the catalysts’ structure evolution under working conditions is challenging. Here the authors use a multiscale simulation approach and machine learning to study the structures and nucleation of CeO2-supported Pd clusters and single atoms at various catalyst loadings, temperatures, and e...

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Autores principales: Yifan Wang, Jake Kalscheur, Ya-Qiong Su, Emiel J. M. Hensen, Dionisios G. Vlachos
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/a827febbc80e4d27a816818155fd96fa
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