The numerical simulations are applied to show the influence of ETM and HTM on the power conversion efficiency of different cell designs. Four types of ETM (IGZO, SnO2, TiO2 and ZnO) are used to estimate the performance of the PSC. The characteristic parameters of ETM are taken from [2, 14, 15, 25, 27] publications. Table 1 provides a summary of these parameters. Resulting from the data as displayed in Table 2, the SnO2 material presents the highest Voc, Jsc and η which were 1.248528V, 31.35126528mA/cm2and 33.2148%, respectively as compared to the other materials. As opposed to that, the SnO2 showed the lower FF, 84.8553%, compared with TiO2, which was 85.2649%. We observed that some of their input parameters appear to be comparable. For instance, both SnO2 and TiO2 have identical electron mobility (20cm/Vs2), but the energy band gaps of SnO2 has larger than TiO2, which were 3.5eV and 3.2eV, respectively, have compensated [14, 28]. The influence of band gap width and electron affinity of ETM on solar cell performance having the device structure[29].
Figure 2 shows illuminated J-V characteristics of IGZO, SnO2, TiO2, and ZnO based solar cells with a thickness of 35 nm for all ETM materials. Structure-based on SnO2 exhibits better electrical parameters than that found on IGZO, TiO2, and ZnO. The better transparency of the SnO2 material than other materials improves light absorption in the perovskite layer [30]. The solar cell based on SnO2 as ETM displayed maximum Jsc than other ETMs as its higher light absorption by the perovskite, which also reflects in the External Quantum Efficiency, which is maximum in the 300–400 nm spectral regions. Furthermore, SnO2 has a wider band gap (3.5eV) as comparison to ZnO (3.3eV) and TiO2 (3.2eV)and it exhibits higher transmittance between 300–400 nm [31, 32].
Parameters
|
IGZO
|
SnO2
|
TiO2
|
ZnO
|
Table 1
The proposed ETM's material parameters
Thickness (nm)
|
35
|
35
|
35
|
35
|
Eg (eV)
|
3.05
|
3.5
|
3.2
|
3.3
|
X (eV)
|
4.16
|
4
|
4.1
|
4
|
εr
|
10
|
9
|
9
|
9
|
Nc (cm− 3)
|
5×1018
|
2.2x1018
|
1x1021
|
2.2x1018
|
Nv (cm− 3)
|
5×1018
|
1.8x1019
|
2x1020
|
1.9x1019
|
µn (cm/Vs)
|
15
|
20
|
20
|
100
|
µp (cm/Vs )
|
0.1
|
10
|
10
|
25
|
Nd (cm− 3)
|
1×1018
|
1x1017
|
1x1019
|
1x1018
|
Na (cm− 3)
|
0.0
|
0.0
|
0
|
0
|
Nt (cm− 3)
|
1×1015
|
1x1015
|
1x1015
|
1×1015
|
Parameter
|
TiO2
|
SnO2
|
ZnO
|
IGZO
|
Table 2
Effect of ETM on n-i-p solar cells' output characteristics
VOC(V)
|
1.241722
|
1.248528
|
1.248576
|
1.24698
|
Jsc(mA/cm²)
|
31.33979163
|
31.35126528
|
31.33322517
|
31.32625888
|
FF(%)
|
85.2649
|
84.8553
|
84.7987
|
84.9381
|
η(%)
|
33.1811
|
33.2148
|
33.1749
|
33.1795
|
To evaluate the effects of various HTMs on PCE for different solar cell-based designs, the parameters of Table 3 are used. The numerical simulation is performed, and the foundlings are presented in Table 4 and Fig. 3.These findings indicate that the Spiro-OMeTAD as HTM gives a highest PCE which was 33.2148%, as compared with NiO, Cu2O and CuO, which was 32.7986, 32.7986 and19.1483, respectively of solar cells. It is seen that Spiro-OMeTAD is better than NiO, Cu2O and CuO as HTM. Therefore, the performances with Spiro-OMeTAD thickness of 350 nm are improved compared to the same thickness of NiO, Cu2O and CuO. These agreed with [33],which revealed that the PCE was increased in perovskite solar cells using Spiro-OMeTAD as the hole-transporting layer. As well as, [34] showed that Spiro-OMeTAD has good stability and is beneficial for obtaining a regular HTM on top layer of the perovskite solar cell. Such a homogeneous coverage significantly reduces pinhole induced charge losses in PSC devices, resulting in an excellent performance.
arameters
|
Spiro-OMeTAD
|
NiO
|
Cu2O
|
CuO
|
Table 3
Parameters of the proposed HTM
Thickness (nm)
|
350
|
350
|
350
|
350
|
Eg (eV)
|
3.17
|
3.6
|
2.17
|
1.48
|
X (eV)
|
2.2
|
1.8
|
3.2
|
4.07
|
εr
|
3
|
11.7
|
7.1
|
18.1
|
Nc (cm− 3)
|
1x1020
|
2.5x1020
|
2x1017
|
2.1x1019
|
Nv (cm− 3)
|
1x1020
|
2.5x1020
|
1.1x1019
|
5.5x1019
|
µn (cm/Vs)
|
2.0
|
2.8
|
200
|
100
|
µp (cm/Vs )
|
1x10− 2
|
2.8
|
80
|
0.1
|
Nd (cm− 3)
|
0
|
0
|
0
|
0
|
Na (cm− 3)
|
2x1019
|
3x1018
|
1x1018
|
1x1016
|
Nt (cm− 3)
|
1×1014
|
1 x1014
|
1x1014
|
1x1014
|
Parameter
|
Spiro-OMe TAD
|
NiO
|
Cu2O
|
CuO
|
Table 4
HTM's impact on the n-i-p PSC's output parameters
VOC(V)
|
1.248528
|
1.241249
|
1.241249
|
0.738443
|
Jsc(mA/cm²)
|
31.35126528
|
31.35095
|
31.35094
|
31.331190
|
F(%)
|
84.8553
|
84.2841
|
84.2841
|
82.763
|
η(%)
|
33.2148
|
32.7986
|
32.7986
|
19.1483
|
Table 5 shows the free leads non-toxic PSC parameters in n-i-p arrangement with SnO2 as ETM and Spiro-OMeTAD as HTM. Considering the thickness of the ETM, methylammonium tin iodide (CH3NH3SnI3) and HTM layers were 35, 900 and 350 nm, respectively. The output parameters of Voc=1.248528, Jsc= 31.35127 mA/cm2, FF = 84.8553%, and η = 33.2148%, under AM1.5 simulated sun lights of 1000mW/cm2were found. This study has demonstrated that it could greatly improve the device's performance by inserting suitable materials such as the ETM and HTM.
Parameters
|
SnO2
|
CH3NH3SnI3
|
Spiro-OMeTAD
|
Table 5
Input parameters of the proposed HTM
Thickness (nm)
|
35
|
900
|
350
|
Eg (eV)
|
3.5
|
1.3
|
3.17
|
X (eV)
|
4
|
4.7
|
2.2
|
εr
|
9
|
10
|
3
|
Nc (cm− 3)
|
2.2x1017
|
1X1018
|
1X1020
|
Nv (cm− 3)
|
2.2x1016
|
1X1019
|
1X1020
|
µn (cm/Vs)
|
20
|
1.6
|
2
|
µp (cm/Vs )
|
10
|
1.6
|
1X10− 20
|
Nd (cm− 3)
|
1x1017
|
3.1017
|
0
|
Na (cm− 3)
|
0.0
|
3.X1017
|
2X1019
|
Nt (cm− 3)
|
1x1015
|
1X1013
|
1X1014
|
The thickness of the tin oxide on device performance has been studied. Figure 4 revealed that, as the thickness of SnO2 increases from 10- 110nm, the Jsc, FF and QE is partially increased and then became maximum from 20nm to 30nm. Furthermore, Voc is decreased as the thickness is increased. The maximum solar cell parameter values such as Voc, Jsc, FF and η were recorded at 1.248533V, 31.35351045mA/cm284.8548% and 33.2172%, respectively. These agreed with [35], experimentally, which revealed that, SnO2 was deposited at a rate of around 2 nm/min, and its thickness ranged from ~30 to ~180 nm. Also, [36]showed that the thickness of the ETM significantly influences solar cell optimization. As a result, the properties of electrical, optical and morphology were examined in relation to the thickness of the SnO2 layer. In both cases, η and VOC increased in a specific thickness and reached its maximum value, and then decreased. Furthermore, Jsc rises as thickness grows, because a thicker absorber layer will absorb more photons and produce more electron-hole pairs [37].
Figure 5 shows QE, Jsc, Voc and FF with varying thicknesses of HTM. From the result, it has been discovered that Jsc increases as HTM thickness increases from 100 to 700nm as shown in Table 6. As the thickness rises, the other values, including Voc, FF, and PCE, decreases. The optimized layer thicknesses for the HTM and perovskite layers provide better PCE. [38]revealed that HTM thickness increases from 0.1 to 10 nm, the cell efficiency and FF increases 28.10% and 80.85%, respectively, when the thickness of HTM is increased to 800 nm, FF and PCE are decreased to 73.19% and 25.46%, respectively. The possibility of recombination is increased because a thin HTM (< 10 nm) does not completely cover the perovskite layer. Increased coverage causes the FF to rise as the HTM thickness rises from 0.1 to 10 nm. The FF reduces as a result of the increase in series resistance (Rs) with the thickness of HTM.
Table 6
Output parameters of the HTM with varying in thickness.
Voc
|
1.248526
|
Volt
|
Jsc
|
31.35126
|
mA/cm2
|
FF
|
84.8507
|
%
|
ɳ
|
33.213
|
%
|
V_MPP
|
1.10377
|
Volt
|
J_MPP
|
30.09053
|
mA/cm2
|
Figure 6: illustrates the thickness effect of absorber layer (CH3NH3SnI3) on different electrical parameter. The efficiency increases as thickness rises from 500 to 1100 nm, then slightly reduces from 1200 to 1700 nm. As the perovskite layer thickness is increased, the solar cell efficiency is increase up to certain value, these may be due to the absorber layer thickness absorbs more photon. With an increase in thickness, the Jsc rises and the charges in a thicker absorber layer must travel a greater distance for diffusion. These agreed with [39], which observed that, the charges in a thicker absorber layer must travel a greater distance for diffusion. When the absorber layer is thinner, there are fewer charge carriers and less areas available for conduction, which results in a smaller PCE value. However, when the absorber layer is at its optimal thickness 0.65µm, there is a sharp increase in PCE value because there are more charge carriers and their movement is increased by the availability of more areas and more conduction.
According to the Table 7, the final model has an absorber layer thickness of 1.1 µm and a defect density of 1013 cm− 3.The final J-V characteristic is shown in Fig. 7. The obtained results demonstrate that perovskite (CH3NH3SnI3) has high electrochemical capabilities kits layer provide a better power conversional efficiency of 33.269%.As thickness increases, the efficiency rises as well. It will be interpreted by an increase in the creation of electron-hole pairs in the absorber layer. As a result, there is an increasing the optical density. Additionally, the Jsc increases with increasing thickness as a result of the thicker absorber layer absorbing more photons and producing more electron-hole pairs. Moreover, the chance of recombination increases with a thicker absorber layer and the charges must travel over a greater distance for diffusion[40, 41].
Table 7
Output parameters of the n-i-p PSC
Voc
|
1.243636 Volt
|
Jsc
|
31.61613912 mA/cm2
|
FF
|
84.6152%
|
ɳ
|
33.2698%
|
V_MPP
|
1.097715Volt
|
J_MPP
|
30.30826258mA/cm2
|