RETRACTED: Synthesis, Crystal Structure, and Theoretical Screening of Solvatochromism and Light-Harvesting Performance of Hexamine V‑Substituted Lindqvist-Based Photosensitizer for Photovoltaic Solar Cells

This solvatochromic behavior can be attributed to hydrogen bonding interactions between the <b>V</b>_<b>2</b><b>W</b>_<b>4</b> polyanion and protic solvents. Furthermore, the energy level of semiconductor-like nature of <b>HMTA-V</b>_<b>2</b><b>W</b>_<b>4</b> with high LUMO level matches well with the conduction band (CB) of TiO₂, which is beneficial for the photovoltaic device performance.

The photovoltaic empirical parameters are theoretically predicted to demonstrate a remarkably high open-circuit voltage (Voc) value (1.805 eV) and a photoelectric conversion efficiency (PCE) value up to 8.7% (FF = 0.88) along with superior light-harvesting efficiency (LHE) (0.7921), and therefore, the studied compound is expected to be a potential candidate as a photosensitizer dye for applications in DSSCs. The aim of this work was to broaden the range of applications of POMs, owing to their low-cost fabrication, leveraging and flourishing optoelectronic properties, and ever-improving efficiency and stability for use in future technology pointed to the development of clean and green renewable energy sources to solve the current energy crisis.