The catalytically active site for the removal of S from organosulfur compounds in catalytic
hydrodesulfurization has been attributed to a generic site at an S-vacancy on the edge of …

Equilibrium conditions of many chemical and physical processes can be determined from
minimization of the Gibbs free energy of the system. Suitable closed-form representations of …

Hydrodesulfurization is a process to produce ultralow-sulfur diesel fuel. Although promoted
molybdenum sulfide (MoS2) catalysts have been used industrially for several decades, the …

Scanning probe microscopy offers real space atomic and nanoscale imaging of surfaces
and supported nanoparticles, and these techniques are used in a planar catalyst model …

By using density functional theory (DFT) calculation and dispersion corrections of DFT-D
method, the stacking effect of unsupported multilayer NiMoS nanocluster on …

The formations of sulfur vacancies over different active sites of Mo-based and W-based
active phases are investigated under the traditional hydrodesulfurization (HDS) reaction …

A non-periodic computational Co Mo S model consisting of un-promoted Mo-edge (Mo-E),
Co-mixed Mo-edge (Mo-X), Co-edge (Co-E) and corner (Corner) sites was used to examine …

The detailed hydrogenation (HYD) and direct desulfurization (DDS) pathways of thiophene
over the sulfur vacancy of different MoS 2 edge structures were investigated by density …

The adsorption of 20 nitrogen-/sulfur-containing and hydrocarbon compounds on the sulfur
edge of cobalt-promoted molybdenum sulfide (CoMoS) catalyst was studied using density …

To develop dynamic ultra‐deep catalytic adsorptive desulfurization (CADS) of real diesel
using ultra‐stable and low‐cost silica gel‐supported TiO2 is the aim of the work. A two‐stage …