Fig. 4: Model molecules for DFT calculation and spin density distribution in cationic states.
From: Stability improvement mechanism due to less charge accumulation in ternary polymer solar cells
a, c Model molecules of PTzBT trimers for the DFT calculation: a 3TzBT-H, c 3TzBT-Br. b, d Spin density distribution in cationic states: b 3TzBT-H, d 3TzBT-Br. e, g Side views of model molecules of PTzBT trimers for the DFT calculation: e 3TzBT-H, g 3TzBT-Br. f, h Side views of spin density distribution in cationic states: f 3TzBT-H, h 3TzBT-Br.
