Search results for "Nitride"
showing 10 items of 249 documents
Indium surfactant effect on AlN/GaN heterostructures grown by metal-organic vapor-phase epitaxy: Applications to intersubband transitions
2006
We report on a dramatic improvement of the optical and structural properties of AlN/GaN multiple quantum wells (MQWs) grown by metal-organic vapor-phase epitaxy using indium as a surfactant. This improvement is observed using photoluminescence as well as x-ray diffraction. Atomic force microscopy shows different surface morphologies between samples grown with and without In. This is ascribed to a modified relaxation mechanism induced by different surface kinetics. These improved MQWs exhibit intersubband absorption at short wavelength (2 mu m). The absorption linewidth is as low as 65 meV and the absorption coefficient is increased by 85%.
Mid-infrared intersubband absorption in lattice-matched AlInN/GaN multiple-quantum wells
2005
We report the observation of midinfrared intersubband (ISB) absorption in nearly lattice-matched AlInNGaN multiple-quantum-wells. A clear absorption peak is observed around 3 μm involving transitions from the conduction band ground state to the first excited state. In addition to ISB absorption, photoluminescence experiments were carried out on lattice- matched AlInNGaN single quantum wells in order to determine the spontaneous polarization discontinuity between GaN and Al0.82 In0.18 N compounds. The experimental value is in good agreement with theoretical predictions. Our results demonstrate that the AlInNGaN system is very promising to achieve crack-free and low dislocation density struct…
EPR investigations of polymeric and H2O2 -modified C3N4 -based photocatalysts
2019
The C3N4 -based nanopowders prepared by thermal condensation of melamine (MCN) with subsequent thermal etching (MCN-TE) and H2O2 -treatment were investigated by Q- and X-band EPR spectroscopy in dark and upon in situ UVA or visible-light exposure. Lorentzian signal at g = 2.003, more pronounced in the case of the thermally etched material, dominates EPR spectra of MCN and MCN-TE. More complex spectra were found for H2O2 -treated photocatalysts revealing the presence of signals attributed to the radicals produced via H2O2 interaction with C/N sites in the C3N4 polymeric network. The X-band spectra monitored upon in situ irradiation of the C3N4 -based photocatalysts evidenced the intensity gr…
Overview on photoreforming of biomass aqueous solutions to generate H2 in the presence of g-C3N4 based materials
2023
Photoreforming (PR) of biomass can be considered a viable technology under mild experimental conditions to produce hydrogen with a high reaction rate using compounds from renewable resources and waste materials. The application of biomass PR gives rise to both hydrogen generation and biomass waste valorization. The process could be scaled up to obtain hydrogen under natural sunlight irradiation, and research on polymeric carbon nitride (g-C3N4)-based photocatalysts has been widely carried out in recent years. The non-metallic-based carbon nitride materials are economical and (photo)stable polymer semiconductors, and their physicochemical surface and electronic properties are optimal for obt…
Natural payload delivery of the doxorubicin anticancer drug from boron nitride oxide nanosheets
2019
International audience; We studied the behavior of doxorubicin (DOX; an anticancer drug) molecules loaded on a boron nitride oxide nanosheet (BNO-NS) using the density functional theory (DFT), time-dependent density functional theory (TDDFT), and molecular dynamic (MD) simulation methods. We found that DOX molecules in pi-pi or covalent interaction with BNO-NS preserve their optical properties in water. Moreover, the BNO-NS vector allowed stabilizing the DOX molecules on a cellular membrane contrary to isolated DOX that randomly moved in the solvent box without any interaction with the cell membrane. From these results, we conclude that hydrophilic BNO-NS represents a good candidate for DOX…
Selective photocatalytic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxaldehyde by polymeric carbon nitride-hydrogen peroxide adduct
2018
Abstract Polymeric carbon nitride-hydrogen peroxide adduct (PCN-H2O2) has been prepared, thoroughly characterised and its application for selective photocatalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxaldehyde (FDC) in aqueous suspension has been studied. The PCN-H2O2 adduct is stable in aqueous suspension under UV and solar irradiation up to 100 °C. It is also stable up to 200 °C if heated in air, while at temperatures close to 300 °C its decomposition takes place. Based on the obtained characterisation data it has been proposed that H2O2 attaches to the non-polymerised carbon nitride species and to the heptazine nitrogen atoms, thus producing strong hydrogen bond…
Heterogeneous photocatalysis for selective partial oxidation reactions in aqueous suspension
2018
Heterogeneous photocatalysis for selective partial oxidation reactions in aqueous suspension
Theoretical simulations of regular and defective aluminium nitride nanotubes
2007
For theoretical simulation on AlN nanotubes (NTs) of different chiralities (armchair-and zigzag-type) and uniform diameters, we have considered their single-walled (SW) 1D periodic models. For this aim, we have performed ab initio DFT calculations on AlN SW NTs using formalism of the localized Gaussian-type atomic functions as implemented in CRYSTAL-03 computer code. We have shown that the smaller the diameter of AlN single-walled nanotube is, the closer its electronic and structural properties to AlN bulk. We have analysed an influence of N vacancies (neutral F centres) created by either soft irradiation of nanotubes or under experimental conditions of their growth, on the atomic and elect…
Boron Nitride‐supported Sub‐nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study
2017
A periodic, self-consistent planewave DFT study was carried out to explore the potential use of Pd6 clusters supported on a boron nitride sheet as a catalyst for the selective decomposi- tion of formic acid (HCOOH) to CO2 and H2. The competition between formate (HCOO) and carboxyl (COOH) paths on cata- lytic sites, with different proximities to the support, was stud- ied. Based on energetics alone, the reaction may mainly follow the HCOO route. Slightly lower activation energies were found at the lateral sites of the cluster as compared to top face sites. This is particularly true for the bidentate to monodentate HCOO conversion. Through comparison of results with similar studies on HCOOH d…
InN thin film lattice dynamics by grazing incidence inelastic x-ray scattering.
2011
Achieving comprehensive information on thin film lattice dynamics so far has eluded well established spectroscopic techniques. We demonstrate here the novel application of grazing incidence inelastic x-ray scattering combined with ab initio calculations to determine the complete elastic stiffness tensor, the acoustic and low-energy optic phonon dispersion relations of thin wurtzite indium nitride films. Indium nitride is an especially relevant example, due to the technological interest for optoelectronic and solar cell applications in combination with other group III nitrides.