PCE Calculator

Calculator was constructed based on Sharber Model (Scharber, Markus C., et al) for organic photovoltaic application.

Instructions: Please input the values of HOMO / LUMO from DFT calculations with B3LYP functional and give the value of the filling factor (0.65 by default). Then the calculator will show results on the right. Also, a value of "10.0" in the PCE result would mean 10.0%.

Input your data :

Calculated Results

Optical bandgap (eV)
Max Abs wavelength (<1200nm, nm)
Open Circuit Voltage (V)
Short circuit current (A/m^2)
Filling Factor
Power Conversion Efficiency (PCE, %) 170.491139

References

1. Scharber, M. C., Mühlbacher, D., Koppe, M., Denk, P., Waldauf, C., Heeger, A. J., & Brabec, C. J. (2006). Design rules for donors in bulk‐heterojunction solar cells—Towards 10% energy‐conversion efficiency. Advanced materials, 18(6), 789-794.

2. Bérubé, N., Gosselin, V., Gaudreau, J., & Côté, M. (2013). Designing polymers for Photovoltaic applications using ab initio calculations. The Journal of Physical Chemistry C, 117(16), 7964-7972.

Scharber Model:

PCE calculation formula: