Theoretical investigation on the dehydrogenation mechanism of CH3OH on Cu (100) surface
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DOI: 10.1016/j.jallcom.2016.12.220
Abstract: Abstract Periodic DFT calculations have been employed to investigate the adsorption and dissociation mechanism of CH 3 OH on Cu (100) surface. For the adsorption, all possible adsorption configurations of relevant intermediates are identified. It… read more here.
Keywords: mechanism; surface; investigation dehydrogenation; theoretical investigation ... See more keywords