Size threshold in the dibenzothiophene adsorption on MoS2 nanoclusters

Area of Science:

• Materials Science
• Catalysis
• Nanotechnology

Background:

• Hydrodesulfurization (HDS) is vital for reducing sulfur in fossil fuels.
• Molybdenum disulfide (MoS2) nanoclusters are key catalysts in HDS.
• Understanding MoS2 nanocluster behavior is crucial for efficient sulfur removal.

Purpose of the Study:

• To investigate the size-dependent adsorption properties of MoS2 nanoclusters for HDS.
• To elucidate the role of sulfur vacancies in dibenzothiophene (DBT) binding.
• To identify optimal MoS2 nanocluster sizes for enhanced catalytic activity.

Main Methods:

• Scanning tunneling microscopy (STM) was employed to visualize MoS2 nanoclusters.
• Analysis of sulfur vacancy formation and location on nanoclusters of varying sizes.
• Studied the interaction of MoS2 nanoclusters with dibenzothiophene (DBT).

Main Results:

• MoS2 nanoclusters above 1.5 nm form edge sulfur vacancies, ineffective for DBT binding.
• MoS2 nanoclusters below 1.5 nm form corner sulfur vacancies with high DBT affinity.
• Smaller nanoclusters exhibit significantly enhanced catalytic performance for HDS.

Conclusions:

• MoS2 nanocluster size critically influences catalytic activity in HDS.
• Corner sulfur vacancies in small MoS2 nanoclusters are key for efficient DBT adsorption.
• Very small MoS2 nanoclusters possess unique catalytic properties for clean fuel production.