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MXene-Assisted Perovskite Solar Cells

MXene-Assisted Perovskite Solar Cells Rnx8V
A large and rapidly expanding class of two-dimensional (2D) metal carbides, nitrides, and carbonitrides called MXenes, with their interesting photovoltaic applications and tunable surface termination, has found a vast range of applications as improving the perovskite solar cells (PSCs) performance. By doing simulations, we report the influence of additive Ti3C2Tx MXene into the absorber layer, and at the interfaces in a PSC, to achieve physical understandings about its impact on the improvement of PSC performance. In this work, the considered architecture contains the methylammonium lead triiodide (MAPbI3) absorber layer, TiO2 electron transport layer, and Spiro-OMeTAD hole transport layer. The simulations show that the addition of Ti3C2Tx to halide perovskite and TiO2 layers induces electric dipole at the interfaces that can change the band alignment between the charge transfer layers and absorber layer. The combined action of work function tuning and interface engineering can modify electric field distribution in the layers that can increase built-in potential, affect the photocurrent and current density, and finally, improve the performance in MXene-modified PSCs with respect to reference cells without MXene. This work provides a theoretical discussion to display the promising role of MXenes to be used in PSCs to improve their performances.
A large and
rapidly
expanding
class
of two-dimensional (2D) metal carbides, nitrides, and
carbonitrides
called
MXenes
, with their interesting photovoltaic applications and tunable surface termination, has found a vast range of applications as improving the
perovskite
solar cells (
PSCs
) performance. By doing simulations, we report the influence of additive Ti3C2Tx
MXene
into the absorber
layer
, and at the interfaces in a PSC, to achieve physical understandings about its impact on the improvement of PSC performance. In this work, the considered architecture contains the
methylammonium
lead
triiodide
(MAPbI3) absorber
layer
, TiO2 electron transport
layer
, and
Spiro-OMeTAD
hole transport
layer
. The simulations
show
that the addition of Ti3C2Tx to
halide
perovskite
and TiO2
layers
induces electric dipole at the interfaces that can
change
the band alignment between the charge transfer
layers
and absorber
layer
. The combined action of work function tuning and interface engineering can modify electric field distribution in the layers that can increase built-in potential, affect the
photocurrent
and
current
density, and
finally
,
improve
the performance in
MXene-modified
PSCs
with respect to reference cells without
MXene
. This work provides a theoretical discussion to display the promising role of
MXenes
to be
used
in
PSCs
to
improve
their performances.
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