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In recent years, organic dye molecules as photosensitizers have played a significant role in the field of dye-sensitized solar cells. In this context, two primary dihydroindolocarbazole-based organic dyes (sk201 and sk202), which were synthesized recently by Song et al., and three further designed dyes (DMZ1-3) were theoretically investigated based on density functional theory and time-dependent density functional theory. Molecular geometries, absorption spectra, charge transfer, molecular electrostatic potential and nonlinear optical properties were quantificationally studied and visually presented to reveal the relationships between the molecular structures and performances of dyes. The effects of joining the isolated dyes and TiO2 on the molecular absorption spectra and energy levels were analyzed. Moreover, several parameters, such as efficiency of light-harvesting, driving forces of electron regeneration and injection, excited-state lifetime and vertical dipole moment, were calculated to give the multi-angle demonstrations of the photovoltaic performances for these dyes.more » « less
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Whispering-gallery-mode optical microresonators have found impactful applications in various areas due to their remarkable properties such as ultra-high quality factor (Q-factor), small mode volume, and strong evanescent field. Among these applications, controllable tuning of the optical Q-factor is vital for on-chip optical modulation and various opto-electronic devices. Here, we report an experimental demonstration with a hybrid structure formed by an ultra-high-Q microtoroid cavity and a graphene monolayer. Thanks to the strong interaction of the evanescent wave with the graphene, the structure allows the Q-factor to be controllably varied in the range of 3.9 × 105∼ 6.2 × 107by engineering optical absorption via changing the gap distance in between. At the same time, a resonant wavelength shift of 32 pm was also observed. Besides, the scheme enables us to approach the critical coupling with a coupling depth of 99.6%. As potential applications in integrated opto-electronic devices, we further use the system to realize a tunable optical filter with tunable bandwidth from 116.5 MHz to 2.2 GHz as well as an optical switch with a maximal extinction ratio of 31 dB and response time of 21 ms.