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Updated: May 28, 2025
Spark Plasma Sintering Apparatus Used for the Formation of Strontium Titanate Bicrystals
Published on: February 9, 2017
Lone Pair and Unique N-Bridging of Novel Titanium Nitridophosphate
Peter Ufondu1, Sakshi1, Teak D Boyko2
1Department of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan, S7N 5E2, Canada.
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 L2, 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 of the α-phase. The formal oxidation state of the Ti ion in the β- and α-phases are also validated to be trivalent (Ti+3) and both trivalent (Ti+3) and tetravalent (Ti+4), respectively.
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