The optimized geometrical parameters, energy band structures, density of states, thermodynamic properties of the group-IIIA elements X-doped (X ¼ Ga, In, Tl) VO 2 have been studied using first-principles calculations. The effect of the impurities on the phase transition temperature (T c ) is also investigated. The substitutional site of V atom and the octahedral interstitial site are considered as the doping positions. Our calculated results show that the hybridization between electronic orbitals of different atoms causes a decrease of E g2 value by shifting the valence band toward the higher energy and the conduction band toward the lower energy when X is doped at the substitutional site of V atom (i.e., X@V). For the interstitial doped system (i.e., X@i), the Fermi level enters the conduction band to show the metallic property. The T c of X-doped (X ¼ Ga, In, Tl) VO 2 is reduced compared to that of pure VO 2 . Indium@V could be a promising element to reduce T c of VO 2 as a smart window material.