Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7.
Martin K SchmittOliver JankaOliver NiehausThomas DresselhausRainer PöttgenFlorian PielnhoferRichard WeihrichMaria KrzhizhanovskayaStanislav FilatovRimma BubnovaLkhamsuren BayarjargalBjörn WinklerRobert GlaumHubert HuppertzPublished in: Inorganic chemistry (2017)
γ-NiB4O7 was synthesized in a high-pressure/high-temperature experiment at 5 GPa and 900 °C. The single-crystal structure analysis yielded the following results: space group P6522 (No. 179), a = 425.6(2), c = 3490.5(2) pm, V = 0.5475(2) nm3, Z = 6, and Flack parameter x = -0.010(5). Second harmonic generation measurements confirmed the acentric crystal structure. Furthermore, γ-NiB4O7 was characterized via vibrational as well as single-crystal electronic absorption spectroscopy, magnetic measurements, high-temperature X-ray diffraction, differential scanning calorimetry, and thermogravimetry. Density functional theory-based calculations were performed to facilitate band assignments to vibrational modes and to evaluate the elastic properties and phase stability of γ-NiB4O7.
Keyphrases
- crystal structure
- density functional theory
- high temperature
- molecular dynamics
- high resolution
- electron microscopy
- air pollution
- particulate matter
- photodynamic therapy
- oxide nanoparticles
- heavy metals
- magnetic resonance imaging
- molecularly imprinted
- solid state
- polycyclic aromatic hydrocarbons
- carbon nanotubes
- gold nanoparticles
- reduced graphene oxide
- raman spectroscopy