SCAPS-1D Simulation for Device Optimization to Improve Efficiency in Lead-Free CsSnI3 Perovskite Solar Cells
Abstract
:1. Introduction
2. Results and Discussion
2.1. Simulation under Initial Conditions
2.2. Efficiency Variation Depending on Acceptor Density (NA) of PAL
2.3. Optimization of Each Layer’s Thickness
2.3.1. Optimization of ZnO Thickness
2.3.2. Optimization of PAL Thickness
2.3.3. Optimization of NiOx Thickness
2.4. Optimization of PAL Defect Density and Interface Defect Density
2.5. Optimization of Metal Electrode Work Function
3. Materials and Methods
3.1. Numerical Modeling
3.2. Device Structure
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Parameter | FTO [106] | ZnO [107] | CsSnI3 [108] | NiOx [109] |
---|---|---|---|---|
Thickness (nm) | 500 | 100 | 1000 | 30 |
Bandgap (eV) | 3.2 | 3.3 | 1.4 | 3.6 |
Electron affinity (eV) | 4.4 | 4.0 | 3.6 | 1.8 |
Dielectric permittivity (relative) | 9 | 8.656 | 9.93 | 10.7 |
CB effective density of states (cm−3) | 2.2 × 1018 | 2.2 × 1018 | 1.0 × 1018 | 2.8 × 1019 |
VB effective density of states (cm−3) | 1.8 × 1019 | 1.8 × 1019 | 1.0 × 1019 | 1.8 × 1019 |
Electron thermal velocity (cm/s) | 1.0 × 107 | 1.0 × 107 | 1.0 × 107 | 1.0 × 107 |
Hole thermal velocity (cm/s) | 1.0 × 107 | 1.0 × 107 | 1.0 × 107 | 1.0 × 107 |
Electron mobility (cm2/Vs) | 20 | 100 | 1500 | 12 |
Hole mobility (cm2/Vs) | 10 | 25 | 585 | 2.8 |
Shallow uniform donor density ND (cm−3) | 1.0 × 1018 | 1.0 × 1018 | - | - |
Shallow uniform acceptor density NA (cm−3) | - | - | 1.0 × 1020 | 1.0 × 1015 |
Defect density Nt (cm−3) | 1.0 × 1015 | 1.0 × 1015 | 1.0 × 1015 | 1.0 × 1015 |
Parameter | ETL/PAL | PAL/HTL |
---|---|---|
Defect density | Neutral | Neutral |
Capture cross-section for electrons (cm−3) | 10−19 | 10−19 |
Capture cross-section for holes (cm−3) | 10−19 | 10−19 |
Reference for the defect energy level Et | EV | EV |
Energetic distribution | Gaussian | Gaussian |
Total density (cm−3) | 1.0 × 1011 | 1.0 × 1011 |
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Park, H.-J.; Son, H.; Jeong, B.-S. SCAPS-1D Simulation for Device Optimization to Improve Efficiency in Lead-Free CsSnI3 Perovskite Solar Cells. Inorganics 2024, 12, 123. https://doi.org/10.3390/inorganics12040123
Park H-J, Son H, Jeong B-S. SCAPS-1D Simulation for Device Optimization to Improve Efficiency in Lead-Free CsSnI3 Perovskite Solar Cells. Inorganics. 2024; 12(4):123. https://doi.org/10.3390/inorganics12040123
Chicago/Turabian StylePark, Hyun-Jae, Hyojung Son, and Byoung-Seong Jeong. 2024. "SCAPS-1D Simulation for Device Optimization to Improve Efficiency in Lead-Free CsSnI3 Perovskite Solar Cells" Inorganics 12, no. 4: 123. https://doi.org/10.3390/inorganics12040123