Deep reaction network exploration at a heterogeneous catalytic interface

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.

Bibliographic Details
Main Authors: Qiyuan Zhao, Yinan Xu, Jeffrey Greeley, Brett M. Savoie
Format: Article
Language:English
Published: Nature Portfolio 2022-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-022-32514-7