Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations
oleh: Yifan Wang, Jake Kalscheur, Ya-Qiong Su, Emiel J. M. Hensen, Dionisios G. Vlachos
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2021-09-01 |
Deskripsi
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.