$2Dexcitonmode
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$2Dexcitonmode is the command to decide the exciton diffusion mode. This solver solves exiciton diffusion and coupling equation. The equation to solver is as follow:
S: singlet density (1) T: triplet density (2) D: doublet density (3)
The command is as follows:
$2Dexcitonmode Mode_id excitontype
For example:
$2Dexcitonmode 1 1
Mode_id : 1. The traditional mode, only considersa single exciton type Mode_id : 2. multiexciton mode update to 3 (excitontype =1 to 3)
Excitontype ID = 1 : 1 exciton type (such as only considering Singlet, or triplet) Excitontype ID = 2 : 2 exciton types (such as both considering Singlet, and triplet) Excitontype ID = 3 : 3 exciton types (such as considering Singlet, triplet, and doublet or something else)
If mode =2 , the way for $2Dexcitonpar command need to be changed.
$2Dexcitonmode 2 2
$2Dexcitonpar 20 (Dn Kr Knr EEA KEnQ KEpQ RadG nonRadG Ketr12 KEE12 )_set1 ( Dn Kr Knr EEA KEnQ KEpQ RadG nonRadG Ketr21 KEE21)_set2
or
$2Dexcitonmode 2 3
$2Dexcitonpar 36 (Dn Kr Knr EEA KEnQ KEpQ RadG nonRadG Ketr12 KEE12 Ketr13 KEE13)_set1 ( Dn Kr Knr EEA KEnQ KEpQ RadG nonRadG Ketr21 KEE21 Ketr23 KEE23)_set2 ( Dn Kr Knr EEA KEnQ KEpQ RadG nonRadG Ketr31 KEE31 Ketr32 KEE32)_set3 Dn means the exciton diffusion coefficient Kr means exciton recombination Knr means exciton nonradiative recombination EEA means exciton exciton anealing KEnQ means exciton electron quench KEpQ means exciton hole quench Ketr21 means exciton transfer from 2 to 1 Ketr32 means exciton transfer from 3 to 2 .... KEE12 means exciton-exciton fusion transfer from 1 to 2 KEE23 means exciton-exciton fusion transfer from 2 to 3 RadG (0-1.0) means Bnp ratio to the generation of an exciton nonRadG (0-1.0) means SRH recombination (trap-assisted) to the generation of an exciton