This study explores the structural, stability, electronic, adsorption, and hydrogen storage properties of quantum dots (QDs) derived from Arsenene (As42), Antimonene (Sb42), Phosphorene (P42), and Bismuthene (Bi42).The binding energies (BE) for these QDs were calculated as 3.622 eV, 3.222 eV, 3.756 eV, and 3.302 eV, resp., with P42 demonstrating the highest stability.P42′s strong covalent bonding and As42′s balanced structural features suggest potential for enhanced stability.Hydrogen adsorption properties were analyzed, revealing Sb42 QDs as highly promising for moderate hydrogen loads with adsorption energies (Ea) within the Department of Energy′s optimal range (-0.2 to -0.7 eV), such as -0.594 eV for Sb42-10H2.Furthermore, the hydrogen storage capacities of Sb42 QDs exceeded other materials, achieving desorption temperatures (TD) of 200 K for moderate loads, facilitating practical hydrogen release.Optical studies demonstrated a red shift in Sb42′s absorption spectrum (λmax = 960 nm) compared to other QDs.These findings highlight the potential of Sb42 for hydrogen storage and P42 for stable applications, offering insights into the performance and application of QDs in advanced energy systems.