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. 2025 Aug 22;15(36):29836–29863. doi: 10.1039/d5ra04739k

Table 1. The input settings for FTO, ETLs, HTL, as well as an absorber layer.

Parameter FTO77 WS2 (ref. 59) WO3 (ref. 78) ZnO59 PCBM59 CBTS59 Rb2NaInI6
Thickness (nm) 500 100 50 50 50 100 1000
Bandgap (Eg) (eV) 3.5 1.8 2 3.3 2 1.9 1.702
Electron affinity (χ) (eV) 4 3.95 3.8 4 3.9 3.6 3.779
Dielectric permittivity (εr) 9 13.6 4.8 9 3.9 5.4 5.06
Effective DOS (conduction) (cm−3) 2.2 × 1018 1.0 × 1018 2.2 × 1021 3.7 × 1018 2.5 × 1021 2.2 × 1018 3.053 × 1016
Effective DOS (valence) (cm−3) 1.8 × 1019 2.4 × 1019 2.2 × 1021 1.8 × 1019 2.5 × 1021 1.8 × 1019 9.945 × 1017
Electron thermal velocity (cm s−1) 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107
Hole thermal velocity (cm s−1) 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107 1.0 × 107
Electron mobility (cm2 V−1 s−1) 20 100 30 100 0.2 30 155.6
Hole mobility (cm2 V−1 s−1) 10 100 30 25 0.2 10 15.25
Donor density (ND) (cm−3) 1 × 1018 1 × 1018 6.35 × 1017 1 × 1018 0 0 0
Acceptor density (NA) (cm−3) 0 0 0 0 2.93 × 1017 1 × 1018 1 × 1015
Defect density (Nt) (cm−3) 1 × 1015 1 × 1015 1 × 1015 1 × 1015 1 × 1015 1 × 1015 1 × 1015