Input parameters used for simulations in SCAPS-1D. Eg is the materials bandgap, εr is the relative permittivity, χ is the electron affinity, Nc and Nv are the effective conduction and valence band density, μe and μh are the electron and hole mobility, ND and NA are the donor and acceptor concentration and Nt is the defect density of the material.
| HTL | Perovskite | ETL | ETLs/Interlayers | |||
|---|---|---|---|---|---|---|
| Parameters/Materials | FTO39 | CuI55,59–61 | MASI12,38 | ZnO46,60 | C60 (ref. 46, 62 and 63) | PCBM46 |
| Thickness (nm) | 500 | Variable | Variable | 30 | Variable | Variable |
| E g (eV) | 3.50 | 2.98 | 1.30 | 3.20 | 1.70 | 2.00 |
| χ (eV) | 4.00 | 2.10 | 4.17 | 4.26 | 3.90 | 3.90 |
| ε r | 9.00 | 6.50 | 8.20 | 9.00 | 4.20 | 4.00 |
| N c (cm−3) | 2.20 × 1018 | 2.80 × 1019 | 1.0 × 1018 | 2.00 × 1018 | 8.00 × 1019 | 1.00 × 1021 |
| N v (cm−3) | 1.80 × 1019 | 1.00 × 1019 | 1.0 × 1018 | 1.80 × 1019 | 8.00 × 1019 | 2.00 × 1020 |
| μ e (cm2 V−1 s−1) | 20 | 100 | 1.6 | 100.00 | 0.08 | 0.02 |
| μ h (cm2 V−1 s−1) | 10 | 2.00 | 1.6 | 5.00 | 3.5 × 10−3 | 0.02 |
| N A (cm−3) | — | 1.00 × 1018 | 3.2 × 1016 | — | — | — |
| N D (cm−3) | 2.00 × 1019 | — | — | 1.50 × 1017 | 2.60 × 1017 | 1.00 × 1020 |
| N t (cm−3) | 1.00 × 1015 | 1.00 × 1015 | Variable | 1.00 × 1015 | 1.00 × 1014 | 1.00 × 1014 |