Density functional theory study on dehydrogenation of methylcyclohexane on Ni–Pt(111)
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DOI: 10.1016/j.ijhydene.2020.09.207
Abstract: Abstract Methylcyclohexane is a very promising liquid organic hydrogen carrier, but its dehydrogenation mechanism on Pt-based bimetallic catalysts is not yet clear. In order to understand the catalytic dehydrogenation of methylcyclohexane on Ni–Pt(111), DFT calculations… read more here.
Keywords: methylcyclohexane; density functional; dehydrogenation; methylcyclohexane 111 ... See more keywords