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Published in

Royal Society of Chemistry, Physical Chemistry Chemical Physics, 3(21), p. 1506-1513, 2019

DOI: 10.1039/c8cp06263c

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N–H bond activation in ammonia by TM-SSZ-13 (Fe, Co, Ni and Cu) zeolites: a first-principles calculation

Journal article published in 2019 by Linxia Wang ORCID, Haijun Chen, Weichao Wang ORCID
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

For Cu-SSZ-13, the lowest unoccupancy of b1g (dx2−y2) promotes the NH3 activation with an energy barrier of 1.26 eV.