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. 2022 Jul 29;126(31):13053–13061. doi: 10.1021/acs.jpcc.2c04725

Table 2. Experimental and Predicted PCE Values for Each of the HTMs in the Test Set of Our Homogeneous Databasea.

HTM no. experimental PCE predicted PCE experimental rank order predicted rank order*
109 17.50 13.03 1 3
134 16.60 10.80 2 6*
172 14.90 14.72 3 1
200 13.00 12.30 4 5
205 12.40 12.94 5 4
206 12.30 8.81 6 10
223 11.00 13.16 7 2*
235 9.70 10.60 8 7
247 8.62 9.21 9 8
257 7.40 8.94 10 9
a

Ranked order for experimental and predicted values corresponds to their respective PCE values sorted in decreasing order. Values marked with * are incorrectly categorized as top- or lowest-performer.