With the pressure for renewable energy resources and the enchantingly digitalized current lifestyle, the need for batteries will augment. Therefore, in this article, it has been evaluated the promising alternative alkali metals of sodium-ion and potassium-ion, batteries. The hypothesis of the hydrogen adsorption phenomenon was confirmed by density distributions of charge density differences (CDD), total density of state (TDOS), and electron localization function (ELF) for of Li[GeO-SiO], Na[GeO-SiO] or K[GeO-SiO] heterostructures that have revealed an efficient charge transfer owing to the internal electric field. Regardless of adsorption configurations of H