Deep reaction network exploration at a heterogeneous catalytic interface

Autor: Qiyuan Zhao, Yinan Xu, Jeffrey Greeley, Brett M. Savoie
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
Druh dokumentu: article
ISSN: 2041-1723
DOI: 10.1038/s41467-022-32514-7
Popis: This study demonstrates how reaction network characterization can be performed on heterogeneous catalytic surfaces predictively, rather than retrospectively, using automated exploration algorithms on an ethylene oligomerization exemplar reaction.
Databáze: Directory of Open Access Journals