Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (–45.3 kcal/mol). Over a nitrogen hollow site adsorption site, initial HDN steps proceed by the stepwise hydrogenation of pyridine into piperidine followed by the Langmuir–Hinshelwood mechanism. The obtained findings are the first to theoretically model the hydrogenation pathways of pyridine to form piperidine and then the hydrogenolysis of piperidine producing C5H12 and NH3 over metal nitride. These paved the way for further investigations to better understanding such an important nitrogen removal reactions.
Two series of 1,3,4-oxadiazole derivatives at the sixth position of the 2,4-di-
In this manuscript, the effect of substituting strontium with barium on the structural properties of Tl0.8Ni0.2Sr2-xBrxCa2Cu3O9-δcompound with x= 0, 0.2, 0.4, have been studied. Samples were prepared using solid state reaction technique, suitable oxides alternatives of Pb2O3, CaO, BaO and CuO with 99.99% purity as raw materials and then mixed. They were prepared in the form of discs with a diameter of 1.5 cm and a thickness of (0.2-0.3) cm under pressures 7 tons / cm2, and the samples were sintered at a constant temperature o
... Show MoreThe notion of a Tˉ-pure sub-act and so Tˉ-pure sub-act relative to sub-act are introduced. Some properties of these concepts have been studied.
The current work concerns preparing cobalt manganese ferrite (Co0.2Mn0.8Fe2O4) and decorating it with polyaniline (PAni) for supercapacitor applications. The X-ray diffraction findings (XRD) manifested a broad peak of PAni and a cubic structure of cobalt manganese ferrite with crystal sizes between 21 nm. The pictures were taken with a field emission scanning electron microscope (FE-SEM), which evidenced that the PAni has nanofibers (NFs) structures, grain size 33 – 55 nm, according to the method of preparation, where the hydrothermal method was used. The magnetic measurements (VSM) that were conducted at room temperature showed that the samples had definite magnetic properties. Additionally, it was noted that the saturation magnetizatio
... Show MoreMn2O3 was coated onto reduced titania nanotubes by reverse pulse electrodeposition, showing smooth and homogenous deposits without covering the opening of the nanotubes.
The thin films of SnO2,SnO2:TiO2 , SnO2:MoO3 , SnO2:WO3 , SnO2:Cr2O3 , and SnO2: Fe2O3 were prepared by pulsed laser deposition technique using (Nd:YAG) laser of λ=1064 nm average frequency (6) Hz and pulse duration (10 ns) under vacuum of 10 -2 mbar)deposited on glass, n-Si single crystals substrate room temperature with thickness of (100±10) nm. The structures of pure SnO2 and ,SnO2:TiO2 , SnO2:MoO3 , SnO2:WO3 , SnO2:Cr2O3 , SnO2:Co3O4 compounds were studied by X–ray diffraction .the results showed that there was red shift accompanied addition of MoO3 and TiO2 while a blue shift accompanied the addition of WoO3 , Cr2O3 , Fe2O3 to tin oxide . The gas sensing measurements of NO2 gas showed that S
... Show MoreIn recent years, nano-modified asphalt has gained significant attraction from researchers in the design of asphalt pavement fields. The recently discovered Titanium dioxide nanoparticles (TiO2) are among the most exciting and promising nanomaterials. This study examines the effect of 1, 3, 5, and 7% of nano-TiO2 by weight of asphalt on some of its rheological and hardened properties. The experimental study included physical and rheological properties. The asphalt penetration, softening point, ductility, and rotational viscometer tests indicate that 5% nano-TiO2 is the ideal amount to be added to bitumen as a modifier. The