Understanding and predicting improved sulfide catalysts: Insights from first principles modeling
Keywords: پشتیبانی می کند; Density functional theory (DFT); Hydrodesulfurization (HDS); Hydrotreatment (HDT); Transition metal sulfides; MoS2; CoMoS; NiMoS; Supports; γ-Alumina; Anatase-TiO2; Volcano curves