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Figure 1

From: Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation

Figure 1

(a) Photoisomerization of diarylethene. (b) Reaction coordinate of ring opening/closing reaction. (c) The population transition path consists of radiative and non-radiative processes. Excitation (➖) and spontaneous decay (─·─) indicate radiative transition. Vibrational relaxation (─ ─ ─ ─) corresponds to non-radiative process. Each molecular orbital transition (HOMO → LUMO, isovalue: 0.02) corresponds to the most significant contribution for the excitation (ground- to first excited state) which is obtained from TDDFT calculation.

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