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Co3Mo3N is one of the most active catalysts for ammonia synthesis, however, little is known about the atomistic details of N2 adsorption and activation. Here we examine whether N2 can adsorb and activate at nitrogen surface vacancies. We have identif
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https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c2ffb98aeca94a7d25429a64f1e2e80b
https://orca.cardiff.ac.uk/id/eprint/91262/1/acs.jpcc.5b06811.pdf
https://orca.cardiff.ac.uk/id/eprint/91262/1/acs.jpcc.5b06811.pdf