Table 6 Calculated hole reorganization energy λh (eV) and electron reorganization energy λe (eV) for the molecules R and DD1–DD8.

From: Designing of pyrrolopyrazine-based electron transporting materials with architecture (A1-D-A2) in perovskite solar cells: a DFT study

Compounds

λe (eV)

λh (eV)

R

0.0174

0.2486

DD1

0.0067

0.2557

DD2

0.0066

0.2532

DD3

0.0062

0.2293

DD4

0.0101

0.2456

DD5

0.0110

0.2551

DD6

0.0062

0.2526

DD7

0.0085

0.2472

DD8

0.0090

0.2463

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