Monatomic reactions with single vacancy monolayer h-BN: DFT studies.

Hexagonal boron nitride (h-BN) has been widely utilized in various strategic applications. Fine-tuning properties of BN towards the desired application often involves ad-atom adsorption of modifying its geometries through creating surface defects. This work utilizes accurate DFT computations to investigate adsorption of selected 1st and 2nd row elements (H, Li, C, O, Al, Si, P, S) of the periodic table on various structural geometries of BN. The underlying aim is to assess the change in key electronic properties upon the adsorption process. In addition to the pristine BN, B and N vacancies were comprehensively considered and a large array of properties (i.e., atomic charges, adsorption energies, density of states) were computed and contrasted among the eight elements. For instance, we found that the band gap to vary between 0.33 eV (in case of Li) and 4.14 eV (in case of P). Likewise, we have illustrated that magnetic contribution to differ substantially depending on the adatom adsorbents. Results from this work has also lays a theoretical foundation for the use of decorated and defected BN as a chemical sensor for CO gases.

Effect of dilute gelatine on the ultrasonic thermally assisted synthesis of nano hydroxyapatite.

A series of nano hydroxyapatite-gelatine composites with different dilute solutions of gelatine concentrations were synthesized by a thermally assisted low-power ultrasonic irradiation method. The gelatine hydroxyapatite, (Gel-HAP) nanoparticles were prepared using Ca(NO(3))(2) and KH(2)PO(4) in the presence of gelatine in an aqueous solution. The synthesised products were heat treated between 100 and 400°C. The effect of the addition of gelatine on the nucleation and growth of synthesised nano HAP was investigated. Characterisation was performed using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM) and Fourier transform infrared spectroscopy (FT-IR). The characterisation results indicate that gelatine has been appended to the nano HAP forming regular spherical shaped crystals of nano sized Gel-HAP.

Synthesis and characterisation of nanohydroxyapatite using an ultrasound assisted method.

Nanostructured hydroxyapatite (HAP) was prepared by a wet precipitation method using Ca(NO(3)) and KH(2)PO(4) as the main material and NH(3) as the precipitator under ultrasonic irradiation. The Ca/P ratio was set at 1.67 and the pH maintained at a minimum of 9. The temperature conditions and ultrasound influences were investigated using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) and Fourier transform infrared spectroscopy (FT-IR). The results showed that Nano-HAP can be obtained by this method and the particles were achieved to around 30 nm.