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各位老师好，请问分子发射过程中涉及的准粒子如何只通过计算来评估呢，以及他们对能量和光谱峰值的影响？目前只是算了一下振动分辨的电子光谱，这条意见该从什么方向入手呢？ What is the nature of the emission from the TADF molecules in the OLED devices discussed in the article? What quasi-particles are involved in the emission? If phonons play a significant role in the emission, please elaborate on their influence and energy contributions in predicting the emission energy for the investigated OLED devices. The same applies to different types of vibrations in isolated molecules. Generally, the involvement of phonons or vibrations in the emission process can lead to substantial shifts in the spectrum maximum. For example, if any transitions other than the 0-0 transition dominate, it might cause red-shifting of the spectrum maximum, as per the Franck-Condon principle (e.g., the 0-5 transition with a typical frequency for organic compounds of 1300 cm-1 (0.16 eV) could shift the maximum by as much as 0.8 eV). For the compounds shown in Figure 7, with the S1 state energy around 3.1 eV (~400 nm), understanding these shifts is crucial for determining the emission maximum and color. How much energy is dissipated in the compounds in Figure 7?
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发表于 Post on 2024-9-14 19:14:19
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