「$callexciton」：修訂間差異

於 2021年8月17日 (二) 02:42 的修訂

</math>Function for calculate the exciton distribution. We usually use this equation for organic material. Behavior of exciton will follow this equation. You can see the detail in Subroutine_exciton1D.

Singlet Rate Equation: $\frac{S}{d t} = D^{S} \nabla^{2} S - (k_{r}^{S} + k_{n r}^{S} + k_{e}^{S} n + k_{h}^{S} p + k_{T S} T) S + α \frac{γ_{T S}}{2} T^{2} + G_{S}$

Triplet Rate Equation: $\frac{T}{d t} = D^{S} \nabla^{2} T - (k_{r}^{T} + k_{n r}^{T} + k_{e}^{T} n + k_{h}^{T} p) T - γ_{T S} T^{2} - \frac{γ_{T T}}{2} T^{2} + G_{T}$

Physical Mechanics
1. Exciton Diffusion: $D^{S} \nabla^{2} n_{e x}$

2. Exciton Quenching: $(k_{r} + k_{n r}) n_{e x}$

3. Singlet-Polaron Quenching: $(k_{e}^{S} n + k_{h}^{S} p) S$

4. Triplet-Polaron Quenching: $(k_{e}^{T} n + k_{h}^{T} p) T$

Where　

$D$ is diffusion coefficient.
$τ$ is relaxation time of exciton.
$γ$ is annihilation rate constant.
$G$ is exciton generation rate.

Format

$callexciton
n
a 4 b c d f
d kr knr gamma g

Parameter Explanation

n : the number of tables we usually set n as 5.
a : The type of exciton solver mode

 1: Time-dependent triplet solver 
 123: Time-dependent triplet and singlet solver (For TADF OLEDs model)
 3: Triplet Exciton Solver (For PhOLEDs model)
 6: Singlet and Triplet Exciton Solver (For TADF OLEDs model)
 4: Triplet Exciton Solver with exciton blocking boundary 
 7: Singlet-Triplet Exciton Solver (For TTF/TADF OLEDs)
 71: Time-dependent singlet-triplet exciton solver with pumping time (For TTF/TADF OLEDs)
 711: Time-dependent singlet-triplet exciton solver (For TTF/TADF's TrEL and TRPL spectrum)

b : Start time (For time-dependent solver)
c : dt (For time-dependent solver)
d : End time (For time-dependent solver)
e : savenum (For time-dependent solver)
D : diffusion coefficient. $(c m^{2} s^{- 1})$
kr : radiatvie rate constant $(s^{- 1})$
knr :non-radiative rate constant $(s^{- 1})$
gamma : quenching coefficient. $(c m^{2} s^{- 1})$
g : generation rate if you wanna let whole recombination rate change into exciton you should set g as 1.

Example

$callexciton
5
2e-14 20000 3000 1e-12 1
2e-14 20000 3000 1e-12 1
2e-14 20000 3000 1e-12 1
2e-14 20000 3000 1e-12 1
2e-14 20000 3000 1e-12 1

static TTA model (mode 7)

Format

$callexciton
20
7 1 1
DS DT krS knrS krT knrT kisc krisc keS khS keT khT kST gammaTS gammaTT a DrefS DrefT ES ET

Parameter Explanation ...

Output Format
*.1DexQE
V I Sr Snr Tr Tnr Sisc Tisc KeS KhS keT khT kts Sann TSA TTA sumSQE sumTQE

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18

sumSQE+sumTQE should equal to 1.

Subroutine_exciton1D,

@@ 第2行： / 第2行： @@
 Singlet Rate Equation:
-<math>\frac{S}{dt}=D^S{\nabla}^2{S}-(k_{r}^S+k_{nr}^S+k_{e}^Sn+k_{h}^Sp+k_{TS}T)n^S+\alpha\frac{\gamma_{TS}}{2}{T}^2+G_{S}</math>
+<math>\frac{S}{dt}=D^S{\nabla}^2{S}-(k_{r}^S+k_{nr}^S+k_{e}^Sn+k_{h}^Sp+k_{TS}T)S+\alpha\frac{\gamma_{TS}}{2}{T}^2+G_{S}</math>
 Triplet Rate Equation:
@@ 第9行： / 第9行： @@
 '''<big><big>Physical Mechanics</big></big>'''<br />
 <big>1. Exciton Diffusion: <math>D^S{\nabla}^2{n_{ex}}</math></big>
 <big>2. Exciton Quenching: <math>(k_{r}+k_{nr})n_{ex}</math></big>
+<big>3. Singlet-Polaron Quenching: <math>(k_{e}^Sn+k_{h}^Sp)S</math></big>
+<big>4. Triplet-Polaron Quenching: <math>(k_{e}^Tn+k_{h}^Tp)T</math></big>
 Where

「$callexciton」：修訂間差異

於 2021年8月17日 (二) 02:42 的修訂

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