Articles with "contributing dissociation" as a keyword



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Geometric and Electronic Effects Contributing to N2 Dissociation Barriers on a Range of Active Sites on Ru Nanoparticles

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Published in 2019 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.9b09563

Abstract: Density functional theory calculations have been used to calculate activation barriers for N2 dissociation on a range of possible active sites on ruthenium nanoparticles, including step, edge and planar sites. Variations in activation barriers are… read more here.

Keywords: active sites; effects contributing; geometric electronic; contributing dissociation ... See more keywords