Istanbul, 34450
Turkey
Koç University
DFT, single atom catalyst, selectivity, hydrogenation, energetic span model
Adsorption, Air Separation, Metal-organic Framework, Ionic Liquid
metal-organic framework (MOF), ionic liquid (IL), composite materials, density functional theory (DFT), molecular simulations, machine learning (ML)
DFT, HY-zeolite, modeling, Proton spill-over, ligand exchange