. 2022 Jun 8;7(24):20528–20541. doi: 10.1021/acsomega.2c00001

Table 9. Computed Open-Circuit Voltage (V_OC), Normalized V_OC, Fill Factor (FF), and Power Conversion Efficiency (PCE) of all Studied Molecules (PCLR and PCLM1–PCLM5).

molecules	V_OC (eV)	normalized V_OC (eV)	FF	J_sc (mA cm^–2) (this assumed short circuit current was taken from reference paper)	PCE (%)
PCLR	1.11	43.224	0.8918	9.7	9.603
PCLM1	1.40	54.517	0.9097	9.7	12.35
PCLM2	1.45	56.464	0.9122	9.7	12.83
PCLM3	1.52	58.796	0.9149	9.7	13.49
PCLM4	1.30	50.623	0.9043	9.7	11.40
PCLM5	1.74	67.306	0.9235	9.7	15.59

Table 9. Computed Open-Circuit Voltage (VOC), Normalized VOC, Fill Factor (FF), and Power Conversion Efficiency (PCE) of all Studied Molecules (PCLR and PCLM1–PCLM5).