The non-toxic nature, low cost, and excellent optical properties make oxide-based perovskites potential candidates for solar cell applications. The full potential linearized augmented plane wave approach is applied to explore the structural, electronic, optical, and thermoelectric properties of Ba2XTiO6 (X = Hf, Ce, and Te) for solar cell applications. As demonstrated by an elastic study, Ba2HfTiO6 is brittle, while Ba2CeTiO6 and Ba2TeTiO6 are ductile. The anisotropic values of Ba2HfTiO6, Ba2CeTiO6 and Ba2TeTiO6 are 1.14, 0.67 and 0.80 respectively. The electronic bandgap values of Ba2HfTiO6, Ba2CeTiO6, and Ba2TeTiO6 are computed as 3.44 eV, 2.96 eV, and 1.26 eV using the Tran-Blaha-modified Becke–Johnson approach. Moreover, the bandgap of Ba2TeTiO6 is compatible for solar cell applications. Optical investigation demonstrates that Ba2TeTiO6 shows maximum absorption in visible light among the studied perovskites. Lastly, the transport properties exhibit figure of merit values of 0.73, 0.77 and 0.81 for Ba2HfTiO6, Ba2CeTiO6, and Ba2TeTiO6 respectively. Consequently, with the bandgap falling in the visible region and high figure of merit among the studied perovskites, Ba2TeTiO6 emerges as the most suitable candidate for solar cell applications based on its electronic, optical, and thermoelectric properties.