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Royal Society of Chemistry, Catalysis Science & Technology, 20(11), p. 6682-6694, 2021

DOI: 10.1039/d1cy00419k

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First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO

Journal article published in 2021 by Astrid Boje ORCID, William E. Taifan, Henrik Ström ORCID, Tomáš Bučko ORCID, Jonas Baltrusaitis ORCID, Anders Hellman
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

First-principles-informed models elucidate the impact of energetic and kinetic limitations on selectivity and activity of ethanol conversion to 1,3-butadiene.