The strontium titanium oxide (SrTiO₃) has received much attention as an alternative anode material for solid oxide fuel cell (SOFC) owing to its high phase stability and sulfur/carbon resistance in typical SOFC anode operating conditions. However, SrTiO₃ has exhibited the low electronic/ionic conductivity and poor electro-catalytic activity toward fuel oxidation, leading to the high overpotential of SOFC.  Therefore, it is very imperative to develop highly conductive and active SrTiO₃ – based anode catalysts. In this work, we will present some recent density functional theory (DFT)+U calculation results we have on the role of dopants in enhancing the electronic/ionic conductivity and catalytic reactivity of SrTiO₃–based catalysts: that is, (1) the origin of improved electronic/ionic conductivity in yttrium(Y)-doped SrTiO₃ (2) mechanism of H₂ oxidation on the surface of yttrium(Y)-doped SrTiO₃ (3) Role of dopant(M) in enhancing H₂ oxidation in Sr_1-xY_xTi_1-yM_yO₃ . This work hints the importance of knowing how to properly tailor the surface reactivity of oxide-based anode materials for achieving wanted electro-catalytic activity for SOFC application.