Preferred Language
Articles
/
OhY7BIcBVTCNdQwCjC1U
Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N catalyst: a DFT study
...Show More Authors

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.

Crossref
View Publication
Publication Date
Tue Jan 01 2019
Journal Name
Advances In Materials Physics And Chemistry
The Role of Cooling Condition on the Superconducting Properties of Tl&amp;lt;sub&amp;gt;2-x&amp;lt;/sub&amp;gt;Hg&amp;lt;sub&amp;gt;x&amp;lt;/sub&amp;gt;Sr&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;Ca&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;Cu&amp;lt;sub&amp;gt;3&amp;lt;/sub&amp;gt;O&amp;lt;sub&amp;gt;10+δ&amp;lt;/sub&amp;gt; System
...Show More Authors

View Publication
Crossref
Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Theoretical Estimation of Electronic Flow Rate at Al-TiO<sub>2</sub> Interfaces System
...Show More Authors
Abstract<p>The mechanism of the electronic flow rate at Al-TiO<sub>2</sub> interfaces system has been studied using the postulate of electronic quantum theory. The different structural of two materials lead to suggestion the continuum energy level for Al metal and TiO<sub>2</sub> semiconductor. The electronic flow rate at the Al-TiO2 complex has affected by transition energy, coupling strength and contact at the interface of two materials. The flow charge rate at Al-TiO2 is increased by increasing coupling strength and decreasing transition energy.</p>
View Publication
Scopus (5)
Crossref (4)
Scopus Crossref
Publication Date
Wed Jan 01 2020
Journal Name
Research Journal Of Pharmacy And Technology
<i>Insilico</i> and <i>in vitro</i> Approach for Design, Synthesis, and Anti-proliferative Activity of Novel Derivatives of 5-(4-Aminophenyl)-4-Substituted Phenyl-2, 4-Dihydro-3<i>H</i>-1, 2, 4-Triazole-3-Thione
...Show More Authors

View Publication
Scopus (9)
Crossref (8)
Scopus Crossref
Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
Theoretical Discussion of Electron Transport Rate Constant at TCNQ / Ge and TiO<sub>2</sub> System
...Show More Authors

View Publication
Scopus (14)
Crossref (10)
Scopus Clarivate Crossref
Publication Date
Thu Mar 30 2023
Journal Name
Optics Continuum
Ultrafast lithium disilicate veneer debonding time assisted by a CO<sub>2</sub> laser with temperature control
...Show More Authors

We report on using a CO2 (10.6 µm) laser to debond the lithium disilicate veneers. Sixty-four sound human premolar teeth and 64 veneer specimens were used in the study. The zigzag movement via CO2 laser handpiece along with an air-cooled jet to prevent temperature elevation above the necrosis temperature limit (5.5 C°) was applied. The optimal deboning irradiation time was super-fast, at about 5 seconds at 3 Watt CO2 laser power. It is 20 times less than any previously published work for veneers debonding. The enamel beneath the debonded veneers has been assessed by atomic force microscopy (AFM) and shear stress technique as criteria for the easiness of debonding. The

... Show More
View Publication
Scopus (2)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Mon Sep 01 2025
Journal Name
Iraqi Journal Of Physics
Role of Tin Oxide on the Structural, Optical and Electrical Properties of Pulsed Laser Deposited (ZnO)&lt;sub&gt;1-x&lt;/sub&gt;(SnO&lt;sub&gt;2&lt;/sub&gt;)&lt;sub&gt;x &lt;/sub&gt;Composite Thin Films
...Show More Authors

This research examines the electrical, optical, and structural properties of zinc oxide (ZnO) and tin(IV) oxide (ZnO)1-x (SnO2)x composite thin films made by pulsed laser deposition, as well as the impact of composition concentration. The structural study of (ZnO)1-x (SnO2)x composites and thin films was conducted by X-ray analysis (XRD). Optical properties were investigated by UV–Vis infrared spectroscopy. The structural analysis revealed that all prepared thin-film composites were polycrystalline, exhibiting both hexagonal wurtzite and tetragonal phases for pure ZnO and SnO2, as well as a mixture of both phases for x=0.2 and 0.4. In contrast, the SnO2 phase was predominant for x=0.6 and 0.8. The increase in crystal size in the (

... Show More
View Publication
Crossref (1)
Crossref
Publication Date
Fri Dec 19 2014
Journal Name
Al-mustansiriyah
Synthesis, Spectroscopic and Antibacterial Studies of N (2-amino phenyl)-N-((pyridine-2-yl) methyl) Benzene-1, 2-Diamine Complexes
...Show More Authors

Publication Date
Thu Nov 19 2020
Journal Name
Indonesian Journal Of Chemistry
Determination of Eugenol in Personal-Care Products by Dispersive Liquid-Liquid Microextraction Followed by Spectrophotometry Using &lt;i&gt;p&lt;/i&gt;-Amino-&lt;i&gt;N,N&lt;/i&gt;-dimethylaniline as a Derivatizing Agent
...Show More Authors

Two simple methods for the determination of eugenol were developed. The first depends on the oxidative coupling of eugenol with p-amino-N,N-dimethylaniline (PADA) in the presence of K3[Fe(CN)6]. A linear regression calibration plot for eugenol was constructed at 600 nm, within a concentration range of 0.25-2.50 μg.mL–1 and a correlation coefficient (r) value of 0.9988. The limits of detection (LOD) and quantitation (LOQ) were 0.086 and 0.284 μg.mL–1, respectively. The second method is based on the dispersive liquid-liquid microextraction of the derivatized oxidative coupling product of eugenol with PADA. Under the optimized extraction procedure, the extracted colored product was determined spectrophotometrically at 618 nm. A l

... Show More
View Publication Preview PDF
Scopus (5)
Crossref (6)
Scopus Clarivate Crossref
Publication Date
Tue Oct 28 2025
Journal Name
Baghdad Science Journal
On the Statistical Variation of &lt;i&gt;γ&lt;/i&gt;-covers Controlled by the Class of Weight Functions
...Show More Authors

View Publication
Scopus Crossref
Publication Date
Thu Apr 06 2017
Journal Name
Chalcogenide Letters
CdS/PMMA-based inorganic/organic heterojunction for H<sub>2</sub>S gas sensing
...Show More Authors

The performance of H2S sensor based on poly methyl methacrylate (PMMA)-CdS nanocomposite fabricated by spray pyrolysis technique has been reported. XRD pattern diffraction peaks of nano CdS has been indexed to the hexagonally wurtzite structured The nanocomposite exhibits semiconducting behavior with optical energy gap of4.06eV.SEM morphology appears almost tubes like with CdS/PMMA network. That means the addition of CdS to polymer increases the roughness in the film and provides high surface to volume ratio, which helps gas molecule to adsorb on these tubes. The resistance of PMMA-CdS nanocomposite showed a considerable change when exposed to H2S gas. Fast response time to detect H2S gas was achieved by using PMMA-CdS thin film sensor. The

... Show More