Formamidinium Sn-based perovskite solar cell design by SCAPS-1D Simulation

Presented By
Under the guidance of
Sonu Kumar
M.Tech (2ndyear) Dr.Basudev Pradhan
19210402024
 INTRODUCTION

Perovskite

 Perovskite is a calcium titanium oxide mineral, with the chemical formula CaTiO3.
The mineral was discovered in the Ural Mountains of Russia by Gustav Rose in 1839
and is named after Russian mineralogist Lev Perovski(1792-1856).
 Perovskite (the mineral) is formed of calcium, titanium and oxygen in the form
CaTiO3, a perovskite structure is anything that has the generic form ABX3 and the
same crystallographic structure as perovskite.
 A perovskite structure is as a cubic unit cell with titanium atoms at the corners,
oxygen atoms at the midpoints of the edges, and a calcium atom in the center.
 OBJECTIVE OF WORK

Formamidinium tin iodide (FASnI3)

 Presence of toxic heavy metal like lead associated over whole lifecycle of
perovskite solar cells (PSCs) is the major concern from environment
perspective. Therefore, considerable effort is being required to introduce
non-toxic element in perovskite photovoltaic.
 Recent implementation of cesium tin iodide (CsSnI3), formamidinium tin
iodide (FASnI3) and methyl ammonium tin iodide (MASnI3) with direct band
gap of approximate 1.3eV, 1.41eV, and 1.20eV in PSC have open up the way
towards non-toxic PSCs.
 My work is focused on the search for a potential environmentally friendly
solar cell with high efficiency and cheaper. So to solve the problem of lead
we replaced it with tin in perovskite giving the molecule CH3NH3SnI3. Also,
we used cheaper HTM than Spiro-OMETAD.
LITERATURE REVIEW

 The preliminary structure of device is based on the reported experimental

and simulation work with the efficiency of 1.75% and 1.66%, respectively.
After the SCAPS simulation with the optimization of basic parameters in this
work, the final optimized performance parameters of the solar cell device are
found to be enhanced with short-circuit current density (Jsc) of 31.20
mA/cm2 , open-circuit voltage (Voc) of 1.81 V, fill factor (%FF) of 33.72% and
power conversion efficiency (%PCE) of 19.08%
 The results are indicating that the lead-free CH3NH3SnI3 is having the great
potential to be an absorber layer with suitable inorganic hole transport
materials like CuI (PCE: 23.25%), Cu2O (PCE: 19.17%), organic hole transport
materials like spiro-OMETAD (PCE: 23.76%) and PTAA (PCE: 23.74%) to achieve
high efficiency.
Material Property FTO TiO2 Spiro-OMeTAD
FASnI3
Thickness ‘t’(nm) 500 30 350 200
Band gap ‘eg’(eV) 3.5 3.2 1.41 2.88
Electron affinity ’x’(eV) 4 4 3.52 2.05
Dielectric Permittivity 9 9 8.2 3
CB EDOS ‘Nc’ 2.2*10^ 2.1*10^18 1.0*10^1 2.2*10^18
18 8
VB EDOS ‘Nd’ 1.8*10^ 1.8*10^19 1.0*10^1 1.8*10^19
19 8
Electron mobility 20 20 22 2.0*10^-4
Hole mobility 10 10 22 2.0*10^-4

Shallow donor density 2.0*10^ 9.0*10^16 0 0

‘Nd’ 19
Shallow Acceptor 0 0 7.0*10^1 2.0*10^19
density ‘Na’ 6
Defect density ‘Nt’ 1.0*10^ 1.0*10^15 2.0*10^1 1.0*10^15
15 5
MATERIALS AND METHODS

SCAPS 1D
 SCAPS 1-D is a one-dimensional solar cell simulation program.
 Developed at the Department of Electronics and Information Systems (ELIS) of
the University of Gent, Belgium.
 Originally developed for polycrystalline cell structures of the CuInSe2 and the
CdTe family.
 Designed to accommodate thin films, multiple interfaces, large band gaps (Eg
=1.12eV for Si, but 2.4eV for CdS used as window layer).
 The package evolved over the years to include additional mechanisms, e.g.,
Auger recombination, tunneling, multiple enhancement to user interface, etc.
 Up to 7 semiconductor layers.
Getting Started

 1. Run SCAPS .
 2. Define the problem, thus the geometry, the materials, all properties of
your solar cell
 3. Indicate the circumstances in which simulation is to be done, i.e. specify
the working point.
 4. Indicate what is to be calculated, i.e. which measurement is needed to
simulate.
 5. Start the calculation(s)
 6. Display the simulated curves
 RESULT AND DISCUSSION

TiO2

Sno2

Spiro-OMETAD
ZnO
Electron
Hole
Transfer
Transfer
Materials
Materials CdS
PTAA

C60

PCBM
 TiO2 ZnO
30
27.19 27.1 27.07 27.05 27.03 27.01 26.99 26.97
30 29.1 29.09 29.07 29.05 29.04 29.02 29.01 29 28.98 28.97
25
25
20 20

Efficiency
Efficiency

15.02
15 15
10
108.87
5
5
0
10 20 30 40 50 60 70 80 90 100
0
10 20 30 40 50 60 70 80 90 100
Thickness
Thickness

CdS C60
35 25
3028.6 28.33 28.06 27.81 27.57 27.34 27.13 20.8 20.09
26.92 26.72 26.53 19.4 18.72
20 18.05 17.4 16.77
25 16.18 15.63 15.11
15
Efficiency

Efficiency
20
15 10
10
5
5
0 0
10 20 30 40 50 60 70 80 90 100 10 20 30 40 50 60 70 80 90 100
Thickness Thickness
 PCBM SnO2
30 29.1229.11
25.35 24.73 24.25 29.1
23.78 23.32 22.87 29.1 29.09
25 22.42 21.92 21.42 29.08
21.01 29.08 29.07
20 29.06
EFFICIENCY

EFFICIENCY
29.06 29.05
29.04
15 29.04 29.03
29.02 29.01
10
29
5 28.98
0 28.96
10 20 30 40 50 60 70 80 90 100 10 20 30 40 50 60 70 80 90 100
THICKNESS THICKNESS
 FUTURE WORK

 The above research efforts indicated that the PSCs will have a greater potential
for commercialization if the stability of cells can be improved.
 The high efficiency and low-cost manufacturability to harvest tera -watt levels by
solar energy are very attractive with this next generation solar cell technology.
 The cell degradability is identified as due to primarily the exposure of perovskite
layer to water vapor and heating effects.
 Cell passivation has been investigated to stabilizing the cells by prevention of
perovskite layer to the ambient.
 To reduce the heating effect by utilizing IR absorbance layers or external
components.
 To increase the efficiency, take care the environmental protection and prevent
the transfer of lead compounds into the environments.
 CONCLUSION

 We have solved two obstacles: the replacement of lead by tin in perovskite

and the reduction of the cost of the cell by using hole transporter materials
such as PTAA, which is cheaper than Spiro-OMETAD
 The results of our simulations showed high efficiencies similar to those of the
lead perovskite cell with PTAA and with other ETL materials.
 Effect of variation in the concentration of defect density and doping (NA) of
absorber, affinity of ETL and HTL and capture cross section concentration
were also studied and optimized.
 Optimizing all these parameters in a very synchronous way, PCE value of -
29.11% was achieved along with enhanced short-circuit current density (Jsc
=27.57 mA/cm2), open-circuit voltage (Voc = 1.1796 V) and fill factor (%FF =
89.51%) which are essential component for realizing a good solar cell device.
 REFERENCES

 Coulibaly , A.B,Oyedele,S.O.Kre, N.R. and Aka, B. (2019) Comparative Study of

Lead-Free Perovskite Solar Cells Using Different Hole Transporter Materials.
Modeling and Numerical Simulation of Material Science, 9, 97-107.
 M. Kumar et al, Manish Kumar a, Abhishek Raj, Arvind Kumar,Avneesh, Anshulb,
(2020) An optimized lead-free formamidinium Sn-based perovskite solar cell design
for high power conversion efficiency by SCAPS simulation.
 M.Burgelman, P.Nollet, S.Degrave, Modelling polycrystalline semiconductor solar
cells, Thin Solid Films, 361 (2000) 527-532.
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cells, Thin Solid Films, 519 (2011) 7481-7484.
 M. Burgelman, J. Marlein, Analysis of graded band gap solar cells with SCAPS,
Proceedings of the 23rd European Photovoltaic Solar Energy Conference, Valencia,
2008, pp. 2151-2155.
THANK YOU