Tricycloquinazoline-based monolayer conjugated metal–organic frameworks as promising hydrogen storage media: A theoretical investigation - Meng, Zhaoshun; Li, Qingyu; Sun, Huilin; Wang, Yunhui; Li, Xing'ao (Green energy & environment, 2025)
Keywords: 2D monolayer MOFs; Adsorption; Clean energy; Clean fuels; Density functional theory; Energy; Graphene; Hydrogen; Hydrogen storage; Hydrogen storage materials; Investigations; Ligands; Lithium; Lithium doping; Metal-organic frameworks; Metals; Molecular dynamics; Monolayers; Monte Carlo simulation; Morse potential; Nitrogen; Open metal sites; Porous materials; Simulation; Sustainable energy; Theoretical investigation; United States--US; Open metal sites; Hydrogen storage; 2D monolayer MOFs; Lithium doping; Theoretical investigation