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Published in 2017 at "Surface Science"
DOI: 10.1016/j.susc.2017.02.010
Abstract: Abstract First-principles calculations depended on density functional theory have been employed to explore the reaction mechanism of CH 4 /CO 2 reforming on Ni/MgO catalyst. The Ni8 cluster supported on the MgO(100) slab has been…
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Keywords:
reforming ni8;
mgo 100;
reaction pathway;
reaction ... See more keywords