DFT insights into the direct desulfurization pathways of DBT and 4,6-DMDBT catalyzed by Co-promoted and Ni-promoted MoS2 corner sites
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DOI: 10.1016/j.ces.2019.05.032
Abstract: Abstract The direct desulfurization (DDS) mechanisms of DBT and 4,6-DMDBT over the different Co-promoted and Ni-promoted MoS2 corner sites were systematically investigated using DFT calculations. Innovatively, the adsorption processes of both sulfur-containing compounds were evaluated… read more here.
Keywords: direct desulfurization; corner; corner sites; dbt dmdbt ... See more keywords