In this study, Mo-doped ZnO (MZO) films were investigated using first-principles calculations based on density functional theory and magnetron sputtering technology. The theoretical results predicted that after Mo was incorporated into ZnO, the MZO film would present n-type metallic properties and the optical band gap would widen, which predicts that MZO films possess favorable electrical and optical properties. An MZO film with high conductivity and a wide spectral range was fabricated at various substrate temperatures (T-s) using pulsed direct-current magnetron sputtering. From 400 to 1200 nm, a lower resistivity of 7.68 x 10(-4) Omega cm and a higher average transmittance (exceeding 80%) were observed when the MZO film was deposited at the optimal T-s of 280 degrees C. Thin-film solar cells consisting of hydrogenated microcrystalline silicon germanium fabricated on textured MZO films demonstrated a strong enhancement of 7.24% in the conversion efficiency because of their improved short-circuit current density (J(sc)) and open-circuit voltage (V-oc) compared with a commercial Al-doped ZnO film applied to a reference solar cell. (C) 2015 Elsevier B.V. All rights reserved.