"$callexciton" 修訂間的差異

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'''<big><big>Physical Mechanics</big></big>'''<br />
  
'''<big><big>Physical Mechanics</big></big>'''<br />
−
<big>1. Exciton Diffusion</big>
 +
<big>1. Exciton Diffusion: D^S{\nabla}^2{S/T}</big>
   
   

於 2021年8月17日 (二) 10:39 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}{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}

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{S/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,

取自 "http://yrwu-wk.ee.ntu.edu.tw/mediawiki/index.php?title=$callexciton&oldid=2533"