$callexciton

出自DDCC TCAD TOOL Manual
於 2021年8月17日 (二) 02:50 由 James留言 | 貢獻 所做的修訂
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</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: Sdt=DS2S(krS+knrS+keSn+khSp+kTST)S+αγTS2T2+GS

Triplet Rate Equation: Tdt=DS2T(krT+knrT+keTn+khTp)TγTST2γTT2T2+GT

Physical Mechanics
1. Exciton Diffusion: DS2nex

2. Exciton Quenching: (kr+knr)nex,[nex1nex]

3. Singlet-Polaron Quenching: (keSn+khSp)S,[S1+n/pS0+n/p*]

4. Triplet-Polaron Quenching: (keTn+khTp)T,[T1+n/pS0+n/p*]

5. Triplet-Singlet Quenching: kTSTS,[S1+T1S0+T1]

6. Triplet-Triplet Annihilation: γTST2+γTT2T2,[T1+T1S0+T1]&[T1+T1S1+S0]

7. Triplet-Triplet Fusion: αγTS2T2,[T1+T1S1+S0]

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. (cm2s1)
  • kr : radiatvie rate constant (s1)
  • knr :non-radiative rate constant (s1)
  • gamma : quenching coefficient. (cm2s1)
  • 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,