Recently,
formamidinium tin iodide (CH(NH2)2SnI3, FASnI3) perovskite has emerged as a promising
candidate for lead-free perovskite solar cells. However, a limited
power conversion efficiency (PCE) was achieved when the conventional
TiO2 and Spiro-OMeTAD were selected as the electron transport
layer and hole transport layer (ETL/HTL), respectively. By employing
numerical modeling of the FTO/TiO2/FASnI3/Spiro-OMeTAD/Au
heterostructure, we noticed that the conduction-band offset (ΔE
C) between TiO2/perovskite and valence-band
offset (ΔE
V) between perovskite/Spiro-OMeTAD
layers are suboptimal, resulting in limited PCE. To overcome this
shortcoming, we replace WO3 and inorganic Cu2ZnSn1–x
Ge
x
S4 (CZTGS) as the ETL and HTL, respectively, which
dramatically improves the PCE by creating a suitable ΔE
C and ΔE
V.
This behavior has been investigated by the simulation using impedance
spectroscopy, revealing that the high V
OC and PCE are attributed to the relatively large recombination resistance
(R
rec) at the CZTGS/perovskite interface.
Further enhancement in PCE has been attained by replacing the MoO
x
:Au composite for the Au back contact. Considering
the paramount importance of electronic levels of the active layer
in device physics, we further optimize the band gap and electron affinity
of the FASnI3 layer and study the corresponding changes
in solar cell parameters. The combined effect of material simulation
on the modified device exhibited an inspiring PCE of 17.1% and V
OC of 0.75 V, which are mainly attributed to
the correct energy level alignment at different heterojunctions and
suitable work function of the alternative back contact.