Lone Pair and Unique N-Bridging of Novel Titanium Nitridophosphate.

ABSTRACT: In exploring advanced materials for solar power, the novel titanium nitridophosphate (TiP₄N₈) stands out due to its unique linear nitrogen bridging. To investigate the elemental interactions responsible for the photovoltaic performance under visible light, the titanium L_{2, 3}-edges and nitrogen K-edge are specifically explored using X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES), and resonant inelastic X-ray scattering (RIXS) techniques to map the unoccupied and occupied electronic states. It is shown that the indirect interaction between the linear nitrogen bearing the lone pair and titanium is responsible for the bandgap of 1.55 ± 0.30 eV and 1.77 ± 0.30 eV in the β- and α-TiP₄N₈ phases as well as the stability

SUBMITTER: Ufondu P 

PROVIDER: S-EPMC11967769 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature