<p>This work reports the synthesis and comprehensive characterization of the novel orthoborate Ba<sub>2</sub>Ni(BO<sub>3</sub>)<sub>2</sub> as a potential wide-bandgap material. The compound was successfully synthesized as a single phase via a solid-state route, crystallizing in the rhombohedral R <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10854_2025_15602_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="10" /> </InlineMediaObject> <EquationSource Format="TEX">\(\underline{3}\)</EquationSource> <EquationSource Format="MATHML"><math> <munder> <mn>3</mn> <mo>̲</mo> </munder> </math></EquationSource> </InlineEquation> m space group with refined lattice parameters a = 5.326(6) Å and c = 16.876(2) Å. Fourier-transform infrared (FTIR) analysis confirmed the expected trigonal planar [BO<sub>3</sub>]<sup>3−</sup> units and octahedrally coordinated Ni<sup>2+</sup> through characteristic vibrational modes, as confirmed via the Raman spectroscopy results. Scanning electron microscopy revealed a dense, nanostructured morphology composed of needle-like crystallites. The material demonstrates high thermal stability, retaining its structure up to 600 °C before showing signs of a phase transition at 800 °C. Optical characterization identified characteristic Ni<sup>2+</sup> d–d electronic transitions. Crucially, Tauc analysis of the absorption data revealed a wide direct optical bandgap of 3.95 eV, establishing Ba<sub>2</sub>Ni(BO<sub>3</sub>)<sub>2</sub> as a promising candidate material for applications in ultraviolet optoelectronics and transparent electronic devices.</p>

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Synthesis, structural characterization, phase stability, and optical properties of novel nanostructured Ba2Ni(BO3)2: toward functional orthoborates for electronic applications

  • Fatima-Ezzahra N’Faoui,
  • Lahcen Boudad,
  • Abdellah El Boukili,
  • M’Hamed Taibi

摘要

This work reports the synthesis and comprehensive characterization of the novel orthoborate Ba2Ni(BO3)2 as a potential wide-bandgap material. The compound was successfully synthesized as a single phase via a solid-state route, crystallizing in the rhombohedral R \(\underline{3}\) 3 ̲ m space group with refined lattice parameters a = 5.326(6) Å and c = 16.876(2) Å. Fourier-transform infrared (FTIR) analysis confirmed the expected trigonal planar [BO3]3− units and octahedrally coordinated Ni2+ through characteristic vibrational modes, as confirmed via the Raman spectroscopy results. Scanning electron microscopy revealed a dense, nanostructured morphology composed of needle-like crystallites. The material demonstrates high thermal stability, retaining its structure up to 600 °C before showing signs of a phase transition at 800 °C. Optical characterization identified characteristic Ni2+ d–d electronic transitions. Crucially, Tauc analysis of the absorption data revealed a wide direct optical bandgap of 3.95 eV, establishing Ba2Ni(BO3)2 as a promising candidate material for applications in ultraviolet optoelectronics and transparent electronic devices.