MoS2 has metallic brim states
1. Bright brim with high local density of one-dimensional metallic states. The molecules are adsorbed on these sites via Π-bonding. |
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The direct extraction route sites
The direct HDS route involves edge vacancies. The reactivity of the direct extraction sites strongly depends on the promoter and on the interaction of MoS2 (or CoMoS/NiMoS) with the carrier.
Type II sites are made by having low interaction. |
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Thiophene on MoS2 nanoparticle
1. Thiophene on MoS2 nanoparticle as shown by STM measurements.
2. Thiophene adsorbed on the brim sites.
3. No thiophene in the inner part of the basal plane. |
Thiophene reactions on MoS2 nanoparticle – Simulated STM image from DFT calculations
Thiophene and hydrogen added to a MoS2 nanoparticle in a DFT calculation. Thiophene reacts with hydrogen and forms C4H7S (cis-but-2-ene-thiolate). |
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Thiophene reactions on MoS2 nanoparticle – STM measurements
The STM measurements confirm the DFT calculations. The pre-hydrogenation reaction sites are located on the brim. Strong adsorption of molecules (like basic nitrogen molecules) will inhibit the pre-hydrogenation route for HDS. |
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STM image after quenching to 250K
First ever image of the C-S hydrogenolysis at the MoS2 edge sites. |