Preferred Language
Articles
/
3RYqFIcBVTCNdQwCKzTN
DFT + U and ab initio atomistic thermodynamics approache for mixed transitional metallic oxides: A case study of CoCu 2 O 3 surface terminations
...Show More Authors

This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study. The results portray satisfactory geometrical parameters for bulk CoCu2O3, and a band gap of 1.25 e V. Furthermore, we clarified the stoichiometrically balanced inverted (010)CoCuO, and the non-stoichiometric (001)CuOCu, (001)CoOCo, (110)OCoO and (110)CoOCu surface terminations as the most stable configurations, out of which, the (001)CuOCu shows the optimum stability in ambient conditions. The systematic approach applied in this study should prove instrumental for the analysis of other 3-element multicomponent systems. To the best of our knowledge, the present study is the first to report DFT + U analysis to any 3-multicompnent systems with two of them requires inclusion of U treatment (i.e., f- and d- orbitals) in the electronic structure calculations.

Scopus Clarivate Crossref
View Publication
Publication Date
Tue Mar 25 2025
Journal Name
Indonesian Journal Of Chemistry
Synthesis, Characterization, and Antioxidant Activity of Cr(III), Mn(II), Fe(III), Co(II) and Ni(II) Complexes with Mixed Azo Dye and Bipyridyl Ligands
...Show More Authors

Mixed ligands reaction of [2-[(3-hydroxyphenyl)diazinyl]-1,2-benzothiazol-3(2H)-one-1,1-dioxide] (H2L, primary ligand) and bipyridyl (secondary ligand) with salts of Cr(III), Mn(II), Fe(III), Co(II) and Ni(II) was performed. A series of air-stable complexes with distinctive octahedral moieties was created by equal molar ratio (1:1:1). The formation of these compounds was verified using detecting analysis techniques incorporating mass spectra, which validated the achieved geometries. Fourier transform infrared (FTIR) analysis demonstrated how the ligands (H2L and bipyridyl) are chelated as tridentate (ONO) and bidentate (NN) groups, respectively and the coordination with the metal ions. Thermal decomposition studies using pyrolysis (

... Show More
View Publication
Scopus Clarivate Crossref
Publication Date
Wed Mar 15 2023
Journal Name
Journal Of Baghdad College Of Dentistry
Different methods of canine retraction- Part 2
...Show More Authors

Background: This review aims to discuss various canine retraction techniques using frictionless mechanics. Methods: Between 1930 and February 2022, searches were conducted about various canine retraction techniques using fixed orthodontic appliances in various databases, including PubMed Central, Science Direct, Wiley Online Library, the Cochrane Library, Textbooks, Google Scholar, Research Gate, and manual searching. Results: After removing the duplicate articles, publications that described how to use archwires to perform canine retraction with the archwires were included. Conclusions: The pros and cons of various canine retraction techniques using archwires were thoroughly discussed. T-loop is the preferred spring of all because of it

... Show More
View Publication Preview PDF
Scopus (1)
Crossref (1)
Scopus Crossref
Publication Date
Sat Jan 01 2011
Journal Name
Al-mustansiriyah J. Sci
Some Properties of 2-Coprobabilistic Normed Space
...Show More Authors

The primary purpose of this paper is to introduce the, 2- coprobabilistic normed space, coprobabilistic dual space of 2- coprobabilistic normed space and give some facts that are related of them

Publication Date
Thu Apr 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Employment the Laser to Fabricate the Surface Plasmon Resonance Sensor
...Show More Authors

The Optical Fiber sensor based on the Surface Plasmon Resonance (SPR) technology has
been a successful performance sensing and presents high sensitivity. This thesis investigates the
performance of several structure of SPR sensor in field of refractive index and chemical
applications. A structure of Multi-Mode Fiber- Single Mode Fiber- Multi Mode Fiber (MMFSMF-MMF)

View Publication Preview PDF
Crossref
Publication Date
Tue Jan 19 2016
Journal Name
Journal Of Engineering
Assessing Close Range Photogrammetric Approach to Evaluate Pavement Surface Condition
...Show More Authors

The aim of this research is to adopt a close range photogrammetric approach to evaluate the pavement surface condition, and compare the results with visual measurements. This research is carried out on the road of Baghdad University campus in AL-Jaderiyiah for evaluating the scaling, surface texture for Portland cement concrete and rutting, surface texture for asphalt concrete pavement. Eighty five stereo images of pavement distresses were captured perpendicular to the surface using a DSLR camera. Photogrammetric process was carried out by using ERDAS IMAGINE V.8.4. The results were modeled by using a relationship between the photogrammetric and visual techniques and selected the highest coefficient of determination (R2). The first techniqu

... Show More
Publication Date
Fri Jan 01 2016
Journal Name
Journal Of Engineering
Assessing Close Range Photogrammetric Approach to Evaluate Pavement Surface Condition
...Show More Authors

The aim of this research is to adopt a close range photogrammetric approach to evaluate the pavement surface condition, and compare the results with visual measurements. This research is carried out on the road of Baghdad University campus in AL-Jaderiyiah for evaluating the scaling, surface texture for Portland cement concrete and rutting, surface texture for asphalt concrete pavement. Eighty five stereo images of pavement distresses were captured perpendicular to the surface using a DSLR camera. Photogrammetric process was carried out by using ERDAS IMAGINE V.8.4.  The results were modeled by using a relationship between the photogrammetric and visual techniques and selected the highest coefficient of determinatio

... Show More
View Publication Preview PDF
Publication Date
Wed Sep 30 2020
Journal Name
College Of Islamic Sciences
Arabization and its contemporary applications A jurisprudential study of the provisions and certifications of Arabization and migration
...Show More Authors

The place in which the person lives and his geographical and social environment have a great impact on building his personality, belief and culture, Islam has alerted the importance of the Muslim to make sure to choose the appropriate place in which he resides and dwells in that it is compatible with his religion and belief in order to ensure communication with Islamic knowledge in a way that enhances his belief Arabization occurs when a person makes himself an Arab by living the life of the Bedouins, and creates the morals of the Bedouins from the inhabitants of the Badia with its harshness, cruelty, ignorance and lack of understanding in religion and far from the sources of knowledge of Islamic knowledge. Blasphemy and polytheism, and

... Show More
View Publication Preview PDF
Publication Date
Tue Nov 09 2021
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Strategic leadership and its role in achieving competitiveness in industrial establishments": "A field study in Bashir Al-Siksik & Co. for the manufacture of sanitary and plastic tools
...Show More Authors

This study aims to know the role of strategic leadership to achieving competitiveness in industrial establishments by identifying the respondents’ perceptions about the level of availability of dimensions of leadership strategies (creativity and innovation, risk tolerance, available opportunities) in Bashir Al-Siksek & Partners Company for the manufacture of sanitary and plastic ware in Gaza strip

To achieve this, a questionnaire was developed and distributed to a sample of managers, auditors, accountants, and administrative employees in the study sample company. The questionnaire tool was distributed to 60 employees and employees, of which (52) were retrieved, or 86.6%, and (8) were excluded for la

... Show More
View Publication Preview PDF
Publication Date
Tue Jul 08 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Surface properties of heat treated with different durations of titanium alloy dental implants
...Show More Authors

Background: The surface properties of the titanium alloy plays a significant role in the bond of the dental implant with living bone and modification of the implant surface could enhance osseointegration. This study was aimed to investigate the effect of different durations of heat treatment on the surface properties of titanium alloy for dental implants. Materials and methods: Twenty disks of (Ti-6Al-4V) alloy were prepared. The sample was divided into four test groups to study the effect of different duration of heat treatment to the surface topography; surface chemistry, titanium oxide layer thickness, blood contact angle, & blood drop diameter of titanium alloy samples were investigated to evaluate the effect of different durations of

... Show More
View Publication Preview PDF
Publication Date
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
Influence of Optical Fiber Diameters on the Performance of Surface Plasmon Resonance Sensor
...Show More Authors

In this research, a sensor for chemical solutions was designed and formed using optical fiber-based on a surface Plasmon resonance technology. A single-mode optical fiber with three different diameters (25, 45 and 65) µm was used, respectively.  The second layer of the low refractive fiber was replaced by gold, which was electrically deposited at 40 µm thickness. For each of the three types of optical fiber, different saline concentrations (different index of refraction) were used to evaluate the performance of the refractive index sensor (chemical sensor) by measuring its sensitivity and resolutions. The highest values we could get for these two parameters were 240mm/RIU, and 6*10-5 RIU respectively, when the diameter of a

... Show More
View Publication Preview PDF
Scopus (3)
Crossref (4)
Scopus Crossref