1：Experimental Design and Method Selection:

The study used optical microscopy to visualize triplet exciton diffusion and quantum chemical calculations to analyze molecular orbital overlaps. Methods included epi-fluorescence microscopy for direct observation and Marcus theory for rate calculations.

2：Sample Selection and Data Sources:

Single crystals of 2-carbazolyl-4,6-dichloro-1,3,5-triazine (CzDClT) and rubrene were used. CzDClT was synthesized and recrystallized, while rubrene crystals were grown by physical vapor transport. Data on crystal structures were obtained from X-ray diffraction.

3：List of Experimental Equipment and Materials:

Equipment included an inverted fluorescence microscope (IX 71, Olympus), lasers (UV-FN-360 for CzDClT and IK4301R-D for rubrene), CCD camera (iXon, Andor Technology), photonic multichannel analyzer (PMA-12, Hamamatsu Photonics), cryostat (Optistat DN-V, Oxford Instruments), fluorometer (FP8300, Jasco), absolute luminescence quantum yield measurement system (C9920-02G, Hamamatsu Photonics), transient absorption spectrophotometer (picoTAS, Unisoku), and fluorescence lifetime spectrometer (C11367, Hamamatsu Photonics). Materials included CzDClT and rubrene powders.

4：Experimental Procedures and Operational Workflow:

Triplet exciton diffusion was visualized by focusing laser excitation on crystal surfaces and imaging the emission. For CzDClT, persistent phosphorescence was measured after ceasing excitation; for rubrene, delayed fluorescence from singlet fission and triplet-triplet annihilation was used. Quantum chemical calculations involved extracting dimers from crystal structures, optimizing molecular configurations, and calculating transfer integrals and reorganization energies using ADF2018 software.

5：Data Analysis Methods:

Emission profiles were analyzed using equations based on exciton density and point-spread functions to extract diffusion lengths and coefficients. Marcus theory equations were used to compute electron and hole transfer rates. Statistical fitting was applied to temperature-dependent data.