Social distancing in catalysis
New Publication in Nature Computational Materials

Social distancing in catalysis

Single atoms of catalysts were realized and purposely made and studied over the past decade. The full utilization of noble and other metals, the intimate interaction with the support, and the potential of these catalysts to possess higher activity and selectivity have been fueling strong interest in this area. The ability to keep single atoms apart, against getting close together to form clusters and nanoparticles, a phenomenon known as sintering, is crucial to having long lasting, effective catalysts. Significant experimental efforts have thus been devoted to innovative solutions that can improve stability and ‘social distancing’ between single atoms of catalysts. Theoretical insights into how to pick oxides, metals, and conditions to prevent sintering have been lacking. Such insights are now becoming available in this npj Computational Materials paper that combines electronic structure calculations and data science methods. The impact of chemistry on stability has also been approached in another publication this year. These are important methodological developments. Further computational developments will though be important to fully understand and control the high performing state(s) of catalysts.


Georgios Giannakakis

Director of Chemical Synthesis at Emvolon | Chemical Engineering | Heterogeneous Catalysis | Reactor & Catalysts Design

4 年

Perhaps the smartest way I've seen to promote single atom catalysis Once again, awesome work - single atoms rule!

Such lack of compassion, even those metal atoms want to be together! [just a joke]

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Vanda Glezakou

Distinguished Scientist, Section Head Chemical Transformations, Oak Ridge National Laboratory (ORNL)

4 年

I hope it was not singles atoms that started all this... Congrats!

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love this title!

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