In this talk we will describe fundamental limitations of Sabatier’s principle arising from many implicit assumptions including (1) a single, identical active site across catalysts and (2) lack of support and other external stimuli effects. We show how catalyst microstructure and defects create multifunctional catalysts that surpass the maximum of the volcano curve. Furthermore, we demonstrate that the most active site is catalyst and even facet dependent on the same catalyst. We present a machine[VD1] learning approach to identify simultaneously the most active and stable catalyst and demonstrate a Pareto-like behaviour.<br/>

Emergent behaviour of catalysts expose fundamental limitations of Sabatier’s principle

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.