Simulation Parameters for different CIGS solar cell device setups

A parameter set - Empa - SCAPS CIS CGS CdS ZnO ZnO:Al bandgap eV 1 1,6 2,48 3,37 3,37 electron affinity eV 4,6 4 4,3 4,5 4,5 dielectric permitttivity relative 13,6 13,6 10 10 8,49 CB effective density of states cm-3 2,20E+18 2,20E+18 2,20E+18 2,20E+18 2,20E+18 CVB effective density of states cm-3 1,80E+19 1,80E+19 1,80E+19 1,80E+19 1,80E+19 Electron thermal velocity cm/s 2,63E+07 2,63E+07 2,63E+07 2,63E+07 2,63E+07 Hole thermal velocity cm/s 1,30E+07 1,30E+07 2,63E+07 2,63E+07 Electron mobility cm2/V/s 5,00E+01 5,00E+01 5,00E+01 5,00E+01 5,00E+01 Hole mobility cm2/V/s 5,00E+01 5,00E+01 5,00E+01 5,00E+01 5,00E+01 Shallow donor density ND cm-3 2,00E+16 1,00E+15 1,00E+20 Shallow acceptor density NA cm-3 1,00E+16 Defect mid-gap, to reach experimental Voc (tau ~300ns, similar as TRPL) mid-gap, extremely large capture cross section to kill CdS photocurrent (extremely short lifetime) Possibly, CdS/CIGS defect would be more appropriate Remarks graded CIGS layer CdS doping is critical in some regions of parameter space Remarks Doping to adjust Weak confidence in some values Weak confidence in some values Weak confidence in some values Simulations Likely, after adjustments SCAPS would deliver about correct Voc and Jsc, but excessive FF INL Setup 1               Layer Properties frontgrid material Ni/Al/Ni layerthickness (µm) - resistivity (Ohmcm) - sheetresistance (Ohm/sq.) - relativepermittivity - bandgap (eV) - effectiveelectronDOS (1/cm³) - effectiveholeDOS (1/cm³) - dopingdensity(homogenous) (1/cm³) - electronthermalvelocity (cm/s) - holethermalvelocity (cm/s) - electronmobility (cm²/Vs) - holemobility (cm²/Vs) - Defect Properties             doubleacceptor/donor(CIGS) - defectdensity (1/cm³) - electron/holecross-section (cm²) - singledefects(GBatCIGS)  - defectdensity (1/cm³) - electron/holecross-section (cm²) - radiativerecomb.coefficient (cm³/s) - Interface Properties conductionbandoffset (eV)  electronrecombinationvelocity (cm/s)  holerecombinationvelocity (cm/s)  defectdensity (1/cm³)  electron/holecross-section (cm²)  backcontact absorber SDL buffer window1 window2 - 0,64 0,015 0,045 0,05 0,2 Mo CIGS SurfaceDefectLayer CdS ZnO ZnO:Al ------ ------ - 1,17 1,35 2,4 3,3 3,3 - 13,6 13,6 5,4 9 9 - 1,50E+19 1,50E+19 9,10E+18 1,70E+19 9,00E+18 - 6,80E+17 6,80E+17 1,30E+18 3,00E+18 4,00E+18 - 3,90E+07 3,90E+07 3,10E+07 2,40E+07 2,40E+07 - 1.91E15(p) 1.91E15(p) 5E17(n) 1E17(n) 1E20(n) - 100 10 72 100 100 - 1,40E+07 1,40E+07 1,60E+07 1,30E+07 1,30E+07 - Ev+0.29/0.58(A)Ec-0.25/0.34(D) Ev+0.29/0.58(A)Ec-0.25/0.34(D) - - - - 12,5 1,25 20 31 31  1E-15/1E-13(A)1E-13/1E-15(D) 1E-15/1E-13(A)1E-13/1E-15(D) - - - - 2,00E+15 2,00E+15 - - - - 7,00E+15 7,00E+15 3,00E+17 1,00E+16 1,00E+16 - Ev+0.27(A/D) Ev+0.27(A/D) mid-gap,acceptor mid-gap,acceptor mid-gap,acceptor -00000 - 1E-15/1E-15 1E-15/1E-15 1E-15/5E-13 1E-15/5E-13 1E-15/5E-13 0 0(vbo=0.2) 0,2 -0,1 0 0 back/abs. abs./SDL SDL/buff. buff./win1 win.1/win.2 win.2/front 1,00E+07 - - - 1,00E+07 1,00E+07 - - - 1,00E+07 - 0 0 - MLU Setup 1 Layer Properties material layerthickness (µm) resistivity (Ohmcm) sheetresistance (Ohm/sq.) relativepermittivity bandgap (eV) effectiveelectronDOS (1/cm³) effectiveholeDOS (1/cm³) dopingdensity(homogenous) (1/cm³) electronmobility (cm²/Vs) holemobility (cm²/Vs) non-radiativeelectronlifetime (ns) non-radiativeholelifetime (ns) radiativerecomb.coefficient (cm³/s) Interface Properties conductionbandoffset (eV) electronrecombinationvelocity (cm/s) holerecombinationvelocity (cm/s) 0 0.1 fromGDOES 7E17 backcontact Mo 0.3 10 win.1/win.2 15E18 12E15(p) 11 0.6 4E18 9E18 5E17(n) 20 13.6 74 67 7.7E-11 back/abs. 0.1 window1 ZnO 0.085 9 3.3 4E18 9E18 10 0.01 0 abs./buff. 0.14 0.1 buff./win1 0.10 0 2.4 absorber CIGS 0.5-2.2 1E7 1E7 win.2/front 0 window2 ZnO:Al 0.275 9 3.4 4E18 9E18 1E15(n) 20 20 10 0.01 0 20 buffer CdS 0.05 0 0 0 frontgrid Ni/Al/Ni 5E19(n) 20 20 10 0.01 0 0 1E7 AV Setup -F.Giesletal.,"ImprovedmodelingoftheeffectofsulfuronopticalandelectricalpropertiesinacalibratedsimulationmodelofaCIGSSesolarmodule",J.Phys.D:Appl.Phys56045105(2023) Layer Properties  material  layerthickness (µm) d resistivity (Ohmcm) sheetresistance (Ohm/sq.) relativepermittivity \epsilo n_r bandgap (eV) E_g effectiveelectronDOS (1/cm³) N_c effectiveholeDOS (1/cm³) N_v dopingdensity(homogenous) (1/cm³) N_D; N_A electronmobility (cm²/Vs) \mu_e holemobility (cm²/Vs) \mu_h non-radiativeelectronlifetime (ns) non-radiativeholelifetime (ns) radiativerecomb.coefficient (cm³/s)  Interface Properties conductionbandoffset (eV)  electronrecombinationvelocity (cm/s)  holerecombinationvelocity (cm/s)      back/abs. abs./buff. buff./win1 win.1/win.2 win.2/front     ->ergibtGradientenfürRekombination    RekombinationüberTrapdichteundEinfangquerschnittefürElektronenundLöcher    25 1 25  100 2 39  5.8E16(p+)/ 2.15E16(bulk) 8,10E+15 3,00E+20  7,30E+18 1,80E+19 1,80E+19  7,15E+17 2,20E+18 4,00E+18  1.033…1.67 3,1 3,6  13,6 10 9         2,475 0,065 0,23   CIGSSe ZnOS n-ZnO  backcontact absorber buffer window1