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Update to version 5.24
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‎Docs/Manual.pdf‎

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‎Docs/change_log.txt‎

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Version 5.24, 20 June 2025, LJAK
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Slight modification of the way we compute the recombination rate constant (only relevant if useLangevin = 1): If the direction recombination rate constant is calculated from the mobility (useLangevin = 1), then we used to first compute the recombination mobility by taking the average over 2 grid points. The rationale being, that the recombination rate constant is on-grid, but mobility (like current) is not (mobility is only defined between 2 grid points!). However, if there are internal interfaces, that becomes somewhat problematic as that would imply averaging over 2 grid points that can belong to different layers. So, I have chosen to go with the lesser of two evils and to simply take the mobility on-grid.
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Version 5.23, 12 June 2025, LJAK
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ZimT only: I have added G_frac to the tjFile. Note: only ZimT (so transient simulations), as in SimSS we don't use this variable TState, field G_frac, so that would result in a zero, regardless of the input G_frac in the parameter file (and TInputParameters).
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‎SimSS/L1_parameters.txt‎

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1-
** SIMsalabim Layer parameters:
2-
** Don't change the order of the parameters, comments can be added anywhere,
3-
** but only after an '*'. Use '**' if you want your comment to be left-justified.
4-
** version: 5.23
5-
6-
**General**************************************************************************
7-
L = 25E-9 * m, device length/thickness
8-
eps_r = 5 * relative dielectric constant
9-
E_c = 4 * eV, conduction band edge
10-
E_v = 5.9 * eV, valence band edge
11-
N_c = 5E26 * m^-3, DOS of conduction and valence bands
12-
N_D = 0 * m^-3, ionised n-doping
13-
N_A = 0 * m^-3, ionised p-doping
14-
15-
**Mobilities************************************************************************
16-
mu_n = 1E-6 * m^2/Vs, zero field mobility
17-
mu_p = 1E-9 * m^2/Vs, zero field mobility
18-
mobnDep = 0 * 0 : const. mob, 1 : field-dependent
19-
mobpDep = 0 * 0 : const. mob, 1 : field-dependent
20-
gamma_n = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
21-
gamma_p = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
22-
23-
**Interface-layer-to-right**********************************************************
24-
nu_int_n = 1E3 * m/s, interface transfer velocity, to layer to the right
25-
nu_int_p = 1E3 * m/s, interface transfer velocity, to layer to the right
26-
N_t_int = 4E12 * m^-2, trap density at interface with layer to the right
27-
E_t_int = 4.7 * eV, energy level of traps at interface
28-
intTrapFile = none * name of file with interface trap energy profile (or 'none'). If specified, overrides E_t_int
29-
intTrapType = -1 * Trap type for the right interface: -1: acceptor, 0: neutral, 1: donor
30-
C_n_int = 2E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
31-
C_p_int = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
32-
33-
**Ions******************************************************************************
34-
N_anion = 0E21 * m^-3, concentration of negative ions
35-
N_cation = 0E21 * m^-3, concentration of positive ions
36-
mu_anion = 1E-11 * m^2/Vs, mobility of negative ions (take 0 if they don't move)
37-
mu_cation = 1E-11 * m^2/Vs, mobility of positive ions (take 0 if they don't move)
38-
ionsMayEnter = 0 * may ions enter from other layers? yes(1) or no(<>1)
39-
40-
**Generation and recombination******************************************************
41-
G_ehp = 0 * m^-3 s^-1, generation rate of electron-hole pairs in this layer
42-
layerGen = 0 * does this layer generate electron/hole pairs? yes(1) or no (0)
43-
nkLayer = ../Data/nk_C60_1.txt * name of file with n,k values of this layer
44-
fieldDepG = 0 * field dependent generation yes (1) or no (0)
45-
P0 = 0 * 0<=P0<1, fraction of quenched excitons that direcltly yield free carriers
46-
a = 1E-9 * m, charge separation distance, Braun model used
47-
thermLengDist = 2 * distribution of a, 1 for delta function, 2 for Gaussian
48-
* 3 for exponential and 4 for r^2 exponential 5 for r^4 Gaussian
49-
k_f = 1E6 * 1/s, decay rate
50-
k_direct = 1E-17 * m3/s, direct (band-to-band, bimolecular) recombination rate
51-
preLangevin = 1 * Langevin recombination prefactor
52-
useLangevin = 0 * (1) use Langevin to calc. recombination or not (<>1, kdirect is used)
53-
54-
**Bulk trapping**************************************************************************
55-
N_t_bulk = 0E20 * m^-3, trap density (in bulk)
56-
C_n_bulk = 2E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
57-
C_p_bulk = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
58-
E_t_bulk = 4.7 * eV, energy level of all traps
59-
bulkTrapFile = none * name of file with bulk trap energy profile (or 'none'). If specified, overrides E_t_bulk
60-
bulkTrapType = -1 * Trap type of bulk traps: -1: acceptor, 0: neutral, 1: donor
1+
** SIMsalabim Layer parameters:
2+
** Don't change the order of the parameters, comments can be added anywhere,
3+
** but only after an '*'. Use '**' if you want your comment to be left-justified.
4+
** version: 5.24
5+
6+
**General**************************************************************************
7+
L = 25E-9 * m, device length/thickness
8+
eps_r = 5 * relative dielectric constant
9+
E_c = 4 * eV, conduction band edge
10+
E_v = 5.9 * eV, valence band edge
11+
N_c = 5E26 * m^-3, DOS of conduction and valence bands
12+
N_D = 0 * m^-3, ionised n-doping
13+
N_A = 0 * m^-3, ionised p-doping
14+
15+
**Mobilities************************************************************************
16+
mu_n = 1E-6 * m^2/Vs, zero field mobility
17+
mu_p = 1E-9 * m^2/Vs, zero field mobility
18+
mobnDep = 0 * 0 : const. mob, 1 : field-dependent
19+
mobpDep = 0 * 0 : const. mob, 1 : field-dependent
20+
gamma_n = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
21+
gamma_p = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
22+
23+
**Interface-layer-to-right**********************************************************
24+
nu_int_n = 1E3 * m/s, interface transfer velocity, to layer to the right
25+
nu_int_p = 1E3 * m/s, interface transfer velocity, to layer to the right
26+
N_t_int = 4E12 * m^-2, trap density at interface with layer to the right
27+
E_t_int = 4.7 * eV, energy level of traps at interface
28+
intTrapFile = none * name of file with interface trap energy profile (or 'none'). If specified, overrides E_t_int
29+
intTrapType = -1 * Trap type for the right interface: -1: acceptor, 0: neutral, 1: donor
30+
C_n_int = 2E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
31+
C_p_int = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
32+
33+
**Ions******************************************************************************
34+
N_anion = 0E21 * m^-3, concentration of negative ions
35+
N_cation = 0E21 * m^-3, concentration of positive ions
36+
mu_anion = 1E-11 * m^2/Vs, mobility of negative ions (take 0 if they don't move)
37+
mu_cation = 1E-11 * m^2/Vs, mobility of positive ions (take 0 if they don't move)
38+
ionsMayEnter = 0 * may ions enter from other layers? yes(1) or no(<>1)
39+
40+
**Generation and recombination******************************************************
41+
G_ehp = 0 * m^-3 s^-1, generation rate of electron-hole pairs in this layer
42+
layerGen = 0 * does this layer generate electron/hole pairs? yes(1) or no (0)
43+
nkLayer = ../Data/nk_C60_1.txt * name of file with n,k values of this layer
44+
fieldDepG = 0 * field dependent generation yes (1) or no (0)
45+
P0 = 0 * 0<=P0<1, fraction of quenched excitons that direcltly yield free carriers
46+
a = 1E-9 * m, charge separation distance, Braun model used
47+
thermLengDist = 2 * distribution of a, 1 for delta function, 2 for Gaussian
48+
* 3 for exponential and 4 for r^2 exponential 5 for r^4 Gaussian
49+
k_f = 1E6 * 1/s, decay rate
50+
k_direct = 1E-17 * m3/s, direct (band-to-band, bimolecular) recombination rate
51+
preLangevin = 1 * Langevin recombination prefactor
52+
useLangevin = 0 * (1) use Langevin to calc. recombination or not (<>1, kdirect is used)
53+
54+
**Bulk trapping**************************************************************************
55+
N_t_bulk = 0E20 * m^-3, trap density (in bulk)
56+
C_n_bulk = 2E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
57+
C_p_bulk = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
58+
E_t_bulk = 4.7 * eV, energy level of all traps
59+
bulkTrapFile = none * name of file with bulk trap energy profile (or 'none'). If specified, overrides E_t_bulk
60+
bulkTrapType = -1 * Trap type of bulk traps: -1: acceptor, 0: neutral, 1: donor

‎SimSS/L2_parameters.txt‎

Lines changed: 60 additions & 60 deletions
Original file line numberDiff line numberDiff line change
@@ -1,60 +1,60 @@
1-
** SIMsalabim Layer parameters:
2-
** Don't change the order of the parameters, comments can be added anywhere,
3-
** but only after an '*'. Use '**' if you want your comment to be left-justified.
4-
** version: 5.23
5-
6-
**General**************************************************************************
7-
L = 500E-9 * m, device length/thickness
8-
eps_r = 24 * relative dielectric constant
9-
E_c = 3.9 * eV, conduction band edge
10-
E_v = 5.53 * eV, valence band edge
11-
N_c = 2.2E24 * m^-3, DOS of conduction and valence bands
12-
N_D = 0 * m^-3, ionised n-doping
13-
N_A = 0 * m^-3, ionised p-doping
14-
15-
**Mobilities************************************************************************
16-
mu_n = 1E-4 * m^2/Vs, zero field mobility
17-
mu_p = 1E-4 * m^2/Vs, zero field mobility
18-
mobnDep = 0 * 0 : const. mob, 1 : field-dependent
19-
mobpDep = 0 * 0 : const. mob, 1 : field-dependent
20-
gamma_n = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
21-
gamma_p = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
22-
23-
**Interface-layer-to-right**********************************************************
24-
nu_int_n = 1E3 * m/s, interface transfer velocity, to layer to the right
25-
nu_int_p = 1E3 * m/s, interface transfer velocity, to layer to the right
26-
N_t_int = 1E12 * m^-2, trap density at interface with layer to the right
27-
E_t_int = 4.7 * eV, energy level of traps at interface
28-
intTrapFile = none * name of file with interface trap energy profile (or 'none'). If specified, overrides E_t_int
29-
intTrapType = 1 * Trap type for the right interface: -1: acceptor, 0: neutral, 1: donor
30-
C_n_int = 2E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
31-
C_p_int = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
32-
33-
**Ions******************************************************************************
34-
N_anion = 3E21 * m^-3, concentration of negative ions
35-
N_cation = 3E21 * m^-3, concentration of positive ions
36-
mu_anion = 5E-11 * m^2/Vs, mobility of negative ions (take 0 if they don't move)
37-
mu_cation = 7E-13 * m^2/Vs, mobility of positive ions (take 0 if they don't move)
38-
ionsMayEnter = 1 * may ions enter from other layers? yes(1) or no(<>1)
39-
40-
**Generation and recombination******************************************************
41-
G_ehp = 0 * m^-3 s^-1, generation rate of electron-hole pairs in this layer
42-
layerGen = 1 * does this layer generate electron/hole pairs? yes(1) or no (0)
43-
nkLayer = ../Data/nk_MAPI.txt * name of file with n,k values of this layer
44-
fieldDepG = 0 * field dependent generation yes (1) or no (0)
45-
P0 = 0 * 0<=P0<1, fraction of quenched excitons that direcltly yield free carriers
46-
a = 1E-9 * m, charge separation distance, Braun model used
47-
thermLengDist = 2 * distribution of a, 1 for delta function, 2 for Gaussian
48-
* 3 for exponential and 4 for r^2 exponential 5 for r^4 Gaussian
49-
k_f = 1E6 * 1/s, decay rate
50-
k_direct = 1E-17 * m3/s, direct (band-to-band, bimolecular) recombination rate
51-
preLangevin = 1 * Langevin recombination prefactor
52-
useLangevin = 0 * (1) use Langevin to calc. recombination or not (<>1, kdirect is used)
53-
54-
**Bulk trapping**************************************************************************
55-
N_t_bulk = 1E20 * m^-3, trap density (in bulk)
56-
C_n_bulk = 5E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
57-
C_p_bulk = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
58-
E_t_bulk = 4.7 * eV, energy level of all traps
59-
bulkTrapFile = none * name of file with bulk trap energy profile (or 'none'). If specified, overrides E_t_bulk
60-
bulkTrapType = -1 * Trap type of bulk traps: -1: acceptor, 0: neutral, 1: donor
1+
** SIMsalabim Layer parameters:
2+
** Don't change the order of the parameters, comments can be added anywhere,
3+
** but only after an '*'. Use '**' if you want your comment to be left-justified.
4+
** version: 5.24
5+
6+
**General**************************************************************************
7+
L = 500E-9 * m, device length/thickness
8+
eps_r = 24 * relative dielectric constant
9+
E_c = 3.9 * eV, conduction band edge
10+
E_v = 5.53 * eV, valence band edge
11+
N_c = 2.2E24 * m^-3, DOS of conduction and valence bands
12+
N_D = 0 * m^-3, ionised n-doping
13+
N_A = 0 * m^-3, ionised p-doping
14+
15+
**Mobilities************************************************************************
16+
mu_n = 1E-4 * m^2/Vs, zero field mobility
17+
mu_p = 1E-4 * m^2/Vs, zero field mobility
18+
mobnDep = 0 * 0 : const. mob, 1 : field-dependent
19+
mobpDep = 0 * 0 : const. mob, 1 : field-dependent
20+
gamma_n = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
21+
gamma_p = 0 * (m/V)^0.5, field dependence of mob, Poole-Frenkel form
22+
23+
**Interface-layer-to-right**********************************************************
24+
nu_int_n = 1E3 * m/s, interface transfer velocity, to layer to the right
25+
nu_int_p = 1E3 * m/s, interface transfer velocity, to layer to the right
26+
N_t_int = 1E12 * m^-2, trap density at interface with layer to the right
27+
E_t_int = 4.7 * eV, energy level of traps at interface
28+
intTrapFile = none * name of file with interface trap energy profile (or 'none'). If specified, overrides E_t_int
29+
intTrapType = 1 * Trap type for the right interface: -1: acceptor, 0: neutral, 1: donor
30+
C_n_int = 2E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
31+
C_p_int = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
32+
33+
**Ions******************************************************************************
34+
N_anion = 3E21 * m^-3, concentration of negative ions
35+
N_cation = 3E21 * m^-3, concentration of positive ions
36+
mu_anion = 5E-11 * m^2/Vs, mobility of negative ions (take 0 if they don't move)
37+
mu_cation = 7E-13 * m^2/Vs, mobility of positive ions (take 0 if they don't move)
38+
ionsMayEnter = 1 * may ions enter from other layers? yes(1) or no(<>1)
39+
40+
**Generation and recombination******************************************************
41+
G_ehp = 0 * m^-3 s^-1, generation rate of electron-hole pairs in this layer
42+
layerGen = 1 * does this layer generate electron/hole pairs? yes(1) or no (0)
43+
nkLayer = ../Data/nk_MAPI.txt * name of file with n,k values of this layer
44+
fieldDepG = 0 * field dependent generation yes (1) or no (0)
45+
P0 = 0 * 0<=P0<1, fraction of quenched excitons that direcltly yield free carriers
46+
a = 1E-9 * m, charge separation distance, Braun model used
47+
thermLengDist = 2 * distribution of a, 1 for delta function, 2 for Gaussian
48+
* 3 for exponential and 4 for r^2 exponential 5 for r^4 Gaussian
49+
k_f = 1E6 * 1/s, decay rate
50+
k_direct = 1E-17 * m3/s, direct (band-to-band, bimolecular) recombination rate
51+
preLangevin = 1 * Langevin recombination prefactor
52+
useLangevin = 0 * (1) use Langevin to calc. recombination or not (<>1, kdirect is used)
53+
54+
**Bulk trapping**************************************************************************
55+
N_t_bulk = 1E20 * m^-3, trap density (in bulk)
56+
C_n_bulk = 5E-14 * m^3/s, capture coefficient for electrons (put to 0 to exclude capture from and emission to the conduction band)
57+
C_p_bulk = 2E-14 * m^3/s, capture coefficient for holes (put to 0 to exclude capture from and emission to the valence band)
58+
E_t_bulk = 4.7 * eV, energy level of all traps
59+
bulkTrapFile = none * name of file with bulk trap energy profile (or 'none'). If specified, overrides E_t_bulk
60+
bulkTrapType = -1 * Trap type of bulk traps: -1: acceptor, 0: neutral, 1: donor

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