Table 3 The calculated values of Eg, Ex, and Eb for the investigated chromophores.

From: A DFT based insights for molecular designing of pyridine dipyrrolide core with benzodithiophene-based acceptors for organic solar cells

Compounds

Eg

Ex

Eb

PPHR

4.091

3.228

0.863

PPH1

2.677

2.203

0.474

PPH2

2.605

2.136

0.469

PPH3

2.590

2.117

0.473

PPH4

2.468

2.007

0.461

PPH5

2.543

2.056

0.487

PPH6

2.550

2.090

0.460

PPH7

2.491

2.022

0.468

PPH8

2.661

2.152

0.509

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