"$callexciton" 修訂間的差異

於 2021年8月11日 (三) 13:50 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: $\frac{dn^S}{dt}=D^S{\nabla}^2{n^S}-(k_{r}^S+k_{nr}^S+k_{e}^Sn+k_{h}^Sp+k_{TS}n^T)n^S+\alpha\frac{\gamma_{TS}}{2}{n^T}^2+G_{S}$

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

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,

"$callexciton" 修訂間的差異

於 2021年8月11日 (三) 13:50 的修訂

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@@ 行 69： / 行 69： @@
 '''<big><big>*.1DexQE</big></big>'''<br />
 V I Sr Snr Tr Tnr Sisc Tisc KeS KhS keT khT kts Sann TSA TTA sumSQE sumTQE
+2  3   4  5   6    7    8   9  10  11  12  13   14  15  16     17     18
 sumSQE+sumTQE should equal to 1.