Inorganic tin–lead binary perovskites have piqued
the interest
of researchers as effective absorbers for thermally stable solar cells.
However, the nonradiative recombination originating from the surface
undercoordinated Sn2+ cations and the energetic offsets
between different layers cause an excessive energy loss and deteriorate
the perovskite device’s performance. In this study, we investigated
two thioamide derivatives that differ only in the polar part connected
to their common benzene ring, namely, benzenecarbothioamide and 4-fluorophenylcarbothioamide
(F-TBA). These two molecules were implemented as modifiers onto the
inorganic tin–lead perovskite (CsPb0.5Sn0.5I2Br) surface in the perovskite solar cells. Modifiers
that carry CS and NH2 functional groups, equipped
with lone electron pairs, can autonomously associate with surface
Sn2+ through coordination and electrostatic attraction
mechanisms. This interaction serves effectively to passivate the surface.
In addition, due to the permanent dipole moment of the intermediate
layer, an interfacial dipole field appears at the PCBM/CsPb0.5Sn0.5I2Br interface, reducing the electron
extraction potential barrier. Consequently, the planar solar cell
with an ITO/PEDOT:PSS/CsPb0.5Sn0.5I2Br/PCBM/BCP/Ag layered structure featuring an F-TBA surface post-treatment
demonstrated a noteworthy power conversion efficiency of 14.01%. Simultaneously,
after being stored for 1000 h in an inert atmosphere glovebox, the
non-encapsulated CsPb0.5Sn0.5I2Br
solar cells managed to preserve 94% of their original efficiency.