Fig. 2: Reorganization energy of acceptors. | Nature Communications

Fig. 2: Reorganization energy of acceptors.

From: Asymmetric small-molecule acceptor enables suppressed electron-vibration coupling and minimized driving force for organic solar cells

Fig. 2

a Schematic diagram of the related transitions among the S0, S1, and the anionic state during the photoelectric conversion processes. b The corresponding reorganization energies of BTP-DC11, BTP-DTBO, BTP-DBO, BTP-C11-TBO, and BTP-BO-TBO acceptors at the level of ωB97XD/6-31G (d, p). c Contributions of each vibrational mode to the reorganization energy for the S1→S0 and anion→S0 transitions of five SMAs, and the displacement vectors for the vibrational normal modes marked by squares (at around 1170 cm−1), triangle (at around 1320 cm−1) and circles (1495 cm−1) are inserted. The height of displacement vectors stands for the magnitude of vibrational strength.

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