Cuprous Halide Coordination Polymer for Efficient NIR-I Photothermal Effect and Photo-Thermo-Electric Conversion

Photo-thermo-electric conversion devices represent a promising technology for converting solar energy into electrical energy. Photothermal materials, as a critical component, play a significant role in efficient conversion from solar energy into thermal energy and subsequently electrical energy, thereby directly influencing the overall system's efficiency in solar energy utilization. However, the application of single-component photothermal materials in photo-thermo-electric conversion systems remains limited. The exploration of novel photothermal materials with broad-spectrum absorption, a high photothermal conversion efficiency (PCE), and a robust output power density is highly desired. In this study, we investigated a black cuprous halide compound, [Cu₂Cl₂PA] (1, PA = phenazine), which exhibits broad-spectrum absorption extending into the near-infrared (NIR) region. Compound 1 demonstrated a high NIR-I PCE of 50% under irradiation with an 808 nm laser, attributed to the metal-to-ligand charge transfer (MLCT) from the Cu(I) to the PA ligands and the strong intermolecular π-π interactions among the PA ligands. Furthermore, the photo-thermo-electric conversion device constructed using compound 1 achieved a notable output voltage of 261 mV and an output power density of 0.92 W/m² under the 1 Sun (1000 W/m²) xenon lamp.