I want to define new material in GPVDM (simulating Organic solar cells). it needs LUMO level of material. Is there any organic semiconductor (Polyaniline, Polypyrrole, and their composites with MWCNTs) database for finding this parameter? Or How I can calculate this parameter?
Dear colleague Amin Imani,
Have a nice time and good day.
The attached paper may help you.
Yours
A. El-Denglawey
Dear Professor Eldenglawey,
Thanks for your kindly answer.
Is there any source for knowing Organic semiconductors Eg data? I mean a database like http://pqr.pitt.edu
Best Regards.
Amin
Dear Amin Imani, usually there is not a fixed value of HOMO-LUMO of any organic semiconductor as these values are highly dependent upon synthesis method and conditions of such materials. Various papers report different values for a single material however they are close to each other. Mostly the method of cyclic voltammetry is used to calculate the exact values of HOMO and LUMO
Following documents might be helpful for your further understanding
Hello,
HOMO level cyclic voltammetry, Eg fluorescence, and LUMO=HOMO-Eg
best regards
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