"$callexciton" 修訂間的差異

於 2021年8月17日 (二) 10:56 的最新修訂

</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: $\frac{S}{dt}=D^S{\nabla}^2{S}-(k_{r}^S+k_{nr}^S+k_{e}^Sn+k_{h}^Sp+k_{TS}T)S+\alpha\frac{\gamma_{TS}}{2}{T}^2+G_{S}$

Triplet Rate Equation: $\frac{T}{dt}=D^S{\nabla}^2{T}-(k_{r}^T+k_{nr}^T+k_{e}^Tn+k_{h}^Tp)T-\gamma_{TS}T^2-\frac{\gamma_{TT}}{2}{T}^2+G_{T}$

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

2. Exciton Quenching: $(k_{r}^{S,T}+k_{nr}^{S,T})S/T, [{S_1/T}_{1}\rightarrow {S_0/T}_{0}]$

3. Singlet-Polaron Quenching: $(k_{e}^Sn+k_{h}^Sp)S, [S_1+n/p\rightarrow S_0+n/p^{*}]$

4. Triplet-Polaron Quenching: $(k_{e}^Tn+k_{h}^Tp)T, [T_1+n/p\rightarrow S_0+n/p^{*}]$

5. Triplet-Singlet Quenching: $k_{TS}TS, [S_1+T_1\rightarrow S_0+T_1]$

6. Triplet-Triplet Annihilation: $\gamma_{TS}T^2+\frac{\gamma_{TT}}{2}{T}^2, [T_1+T_1\rightarrow S_0+T_1]\&[T_1+T_1\rightarrow S_1+S_0]$

7. Triplet-Triplet Fusion: $\alpha\frac{\gamma_{TS}}{2}{T}^2, [T_1+T_1\rightarrow S_1+S_0]$

Where　

$D$ is diffusion coefficient.
$\tau$ is relaxation time of exciton.
$\gamma$ 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. $(cm^{2}s^{-1})$
kr : radiatvie rate constant $(s^{-1})$
knr :non-radiative rate constant $(s^{-1})$
gamma : quenching coefficient. $(cm^{2}s^{-1})$
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,

@@ 行 2： / 行 2： @@
 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:
@@ 行 8： / 行 8： @@
 '''<big><big>Physical Mechanics</big></big>'''<br />
-Diffusion Term
+<big>1. Exciton Diffusion: <math>D^S{\nabla}^2{n_{ex}}</math></big>
+<big>2. Exciton Quenching: <math>(k_{r}^{S,T}+k_{nr}^{S,T})S/T, [{S_1/T}_{1}\rightarrow {S_0/T}_{0}]</math></big>
+<big>3. Singlet-Polaron Quenching: <math>(k_{e}^Sn+k_{h}^Sp)S, [S_1+n/p\rightarrow S_0+n/p^{*}]</math></big>
+<big>4. Triplet-Polaron Quenching: <math>(k_{e}^Tn+k_{h}^Tp)T, [T_1+n/p\rightarrow S_0+n/p^{*}]</math></big>
+<big>5. Triplet-Singlet Quenching: <math>k_{TS}TS, [S_1+T_1\rightarrow S_0+T_1]</math></big>
+<big>6. Triplet-Triplet Annihilation: <math>\gamma_{TS}T^2+\frac{\gamma_{TT}}{2}{T}^2, [T_1+T_1\rightarrow S_0+T_1]\&[T_1+T_1\rightarrow S_1+S_0]</math></big>
+<big>7. Triplet-Triplet Fusion: <math>\alpha\frac{\gamma_{TS}}{2}{T}^2, [T_1+T_1\rightarrow S_1+S_0]</math></big>
 Where

"$callexciton" 修訂間的差異

於 2021年8月17日 (二) 10:56 的最新修訂

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