This work examines the possibility of the use of two-dimensional non-magnetic borides of the type \(\varvec{Mo_2B_2}\) as candidates for spintronic applications. Making use of first-principle computational approaches, we explored the electronic properties and magnetic properties of \(\varvec{Mo_2B_2}\) monolayers, either exposed to doping elements or transition metal atom (TM = V, Cr, Mn, Fe, Co, Ni) adsorption. Our calculations reveal in our first-principle calculations that show maintenance of the metallicity of the configurations, both doped and adsorbed. Ferromagnetism is observed in Cr-, Mn-, and Fe-doping monolayers, with localized moments of \(\varvec{1.35\mu B, 1.92\mu B}\) , and \(\varvec{0.97 \mu B}\) , respectively. In contrast, transition metal atom adsorption is more strongly spin polarized and causes the appearance of magnetic moments of \(\varvec{2.37 \mu B, 1.70 \mu B, 1.81 \mu B}\) , and \(\varvec{1.37 \mu B}\) for Cr, Mn, Fe, and Co, respectively. This magnetism comes primarily from exchange splitting in the d orbitals of the transition metals, and adsorption produces stronger magnetic responses than substitutional doping. We further determined the magnetic anisotropy energy (MAE) to determine the energetically favored magnetization orientation. Positive MAE values for Cr/Mn/Fe-doped and Cr/Mn-adsorbed monolayer show an in-plane preference, while negative MAE for Fe- and Co-adsorbed systems are associated with an out-of-plane tendency of notable importance. Important are the relatively values of MAE of \(\varvec{7130 \mu eV}\) and \(\varvec{7990 \mu eV}\) of the Mn- and Fe-doped \(\varvec{Mo_2B_2}\) monolayers, respectively, and their capacity to stabilize magnetic anisotropy. Collectively, such findings provide useful hints to rationally design magnetic two-dimensional materials and a strong basis for future experimental efforts into the field of spintronics.
