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

Autor: Yifan Wang, Jake Kalscheur, Ya-Qiong Su, Emiel J. M. Hensen, Dionisios G. Vlachos
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Druh dokumentu: article
ISSN: 2041-1723
DOI: 10.1038/s41467-021-25752-8
Popis: 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 exposures to CO.
Databáze: Directory of Open Access Journals