"$callexciton" 修訂間的差異
Jameshuang (對話 | 貢獻) (已建立頁面,內容為 "Function for calculate the exciton distribution. '''<big><big>Format</big></big>'''<br /> $callexciton n d kr knr gamma g<br /> '''<big><big>Parameter Explanati...") |
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(未顯示由 3 位使用者於中間所作的 70 次修訂) | |||
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− | Function for calculate the exciton distribution. |
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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]]. |
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+ | |||
+ | Singlet Rate Equation: |
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+ | <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> |
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+ | |||
+ | Triplet Rate Equation: |
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+ | <math>\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}</math> |
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+ | |||
+ | '''<big><big>Physical Mechanics</big></big>'''<br /> |
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+ | <big>1. Exciton Diffusion: <math>D^S{\nabla}^2{n_{ex}}</math></big> |
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+ | |||
+ | <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> |
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+ | |||
+ | <big>3. Singlet-Polaron Quenching: <math>(k_{e}^Sn+k_{h}^Sp)S, [S_1+n/p\rightarrow S_0+n/p^{*}]</math></big> |
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+ | |||
+ | <big>4. Triplet-Polaron Quenching: <math>(k_{e}^Tn+k_{h}^Tp)T, [T_1+n/p\rightarrow S_0+n/p^{*}]</math></big> |
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+ | |||
+ | <big>5. Triplet-Singlet Quenching: <math>k_{TS}TS, [S_1+T_1\rightarrow S_0+T_1]</math></big> |
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+ | |||
+ | <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> |
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+ | |||
+ | <big>7. Triplet-Triplet Fusion: <math>\alpha\frac{\gamma_{TS}}{2}{T}^2, [T_1+T_1\rightarrow S_1+S_0]</math></big> |
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+ | |||
+ | Where |
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+ | * <math>D</math> is diffusion coefficient. |
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+ | * <math>\tau</math> is relaxation time of exciton. |
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+ | * <math>\gamma</math> is annihilation rate constant. |
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+ | * <math>G</math> is exciton generation rate. |
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'''<big><big>Format</big></big>'''<br /> |
'''<big><big>Format</big></big>'''<br /> |
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$callexciton |
$callexciton |
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⚫ | |||
+ | n |
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+ | a 4 b c d f |
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⚫ | |||
'''<big><big>Parameter Explanation</big></big>''' |
'''<big><big>Parameter Explanation</big></big>''' |
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* n : the number of tables we usually set n as 5. |
* n : the number of tables we usually set n as 5. |
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⚫ | |||
+ | * a : The type of exciton solver mode |
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+ | 1: Time-dependent triplet solver |
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+ | 123: Time-dependent triplet and singlet solver (For TADF OLEDs model) |
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+ | 3: Triplet Exciton Solver (For PhOLEDs model) |
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+ | 6: Singlet and Triplet Exciton Solver (For TADF OLEDs model) |
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+ | 4: Triplet Exciton Solver with exciton blocking boundary |
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+ | 7: Singlet-Triplet Exciton Solver (For TTF/TADF OLEDs) |
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+ | 71: Time-dependent singlet-triplet exciton solver with pumping time (For TTF/TADF OLEDs) |
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+ | 711: Time-dependent singlet-triplet exciton solver (For TTF/TADF's TrEL and TRPL spectrum) |
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+ | |||
+ | * b : Start time (For time-dependent solver) |
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+ | * c : dt (For time-dependent solver) |
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+ | * d : End time (For time-dependent solver) |
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+ | * e : savenum (For time-dependent solver) |
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* kr : radiatvie rate constant <math>(s^{-1})</math> |
* kr : radiatvie rate constant <math>(s^{-1})</math> |
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* knr :non-radiative rate constant <math>(s^{-1})</math> |
* knr :non-radiative rate constant <math>(s^{-1})</math> |
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− | * gamma : quenching coefficient. <math>(cm^{2} |
+ | * gamma : quenching coefficient. <math>(cm^{2}s^{-1})</math> |
* g : generation rate if you wanna let whole recombination rate change into exciton you should set g as 1. |
* g : generation rate if you wanna let whole recombination rate change into exciton you should set g as 1. |
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2e-14 20000 3000 1e-12 1 |
2e-14 20000 3000 1e-12 1 |
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2e-14 20000 3000 1e-12 1 |
2e-14 20000 3000 1e-12 1 |
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+ | <big>'''<big>static TTA model (mode 7)</big>'''</big> <br /> |
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+ | |||
+ | |||
+ | '''<big><big>Format</big></big>'''<br /> |
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+ | $callexciton |
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+ | 20 |
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+ | 7 1 1 |
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+ | DS DT krS knrS krT knrT kisc krisc keS khS keT khT kST gammaTS gammaTT a DrefS DrefT ES ET <br /> |
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+ | |||
+ | '''<big><big>Parameter Explanation</big></big>''' |
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+ | ... |
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+ | |||
+ | |||
+ | <big>'''<big>Output Format</big>'''</big> <br /> |
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+ | '''<big><big>*.1DexQE</big></big>'''<br /> |
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+ | V I Sr Snr Tr Tnr Sisc Tisc KeS KhS keT khT kts Sann TSA TTA sumSQE sumTQE |
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+ | |||
+ | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 |
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+ | |||
+ | sumSQE+sumTQE should equal to 1. |
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+ | |||
+ | [[Subroutine_exciton1D]], |
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:
Triplet Rate Equation:
Physical Mechanics
1. Exciton Diffusion:
2. Exciton Quenching:
3. Singlet-Polaron Quenching:
4. Triplet-Polaron Quenching:
5. Triplet-Singlet Quenching:
6. Triplet-Triplet Annihilation:
7. Triplet-Triplet Fusion:
Where
- is diffusion coefficient.
- is relaxation time of exciton.
- is annihilation rate constant.
- 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.
- kr : radiatvie rate constant
- knr :non-radiative rate constant
- gamma : quenching coefficient.
- 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.