LAUSR

Abstract The various compositions of CaxBa1−xSnO3 perovskite materials were synthesized by hydrothermal method and they were fabricated as the photoanode of dye-sensitized solar cells (DSSC). Among them, Ca0.1Ba0.9SnO3 composition shows better efficiency with the JSC of 4.64 mA cm−2 and VOC of 0.726 V. The conduction band minimum (CBM) of Ca0.1Ba0.9SnO3 material is slightly lower than excited-state potential of N719 dye molecules. This provides high electron transfer from dye to this perovskite material after shining the light. The structural stability and electronic properties of these materials were studied by first principles density functional theory (DFT) calculations. Our study revealed that CBM is mainly distributed by Sn 5s states, which provides high electronic mobility. This mobility is not altered much even for substitution of small amount of Ca atoms into BaSnO3.