Ahmad A. Mousa
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View article: WITHDRAWN: Exploring the Multifunctionality of Ba₂XSbO₆ Double Perovskites: A First-Principles Approach to Next- Generation Electronic and Spintronic Materials
WITHDRAWN: Exploring the Multifunctionality of Ba₂XSbO₆ Double Perovskites: A First-Principles Approach to Next- Generation Electronic and Spintronic Materials Open
The full text of this preprint has been withdrawn by the authors while they make corrections to the work. Therefore, the authors do not wish this work to be cited as a reference. Questions should be directed to the corresponding author.
View article: First-principles study of LaCrO₃ and LaCoO₃ perovskites for thermo-spintronics: Structural, electronic, and thermal comparison with LaMnO₃ and LaFeO₃
First-principles study of LaCrO₃ and LaCoO₃ perovskites for thermo-spintronics: Structural, electronic, and thermal comparison with LaMnO₃ and LaFeO₃ Open
In this study, we employed first-principles calculations within the framework of density functional theory to analyse the structural, electronic, mechanical and thermal properties of LaCrO₃ and LaCoO₃, benchmarking them against the referen…
View article: WITHDRAWN: Exploring the Multifunctionality of Ba₂XSbO₆ Double Perovskites: A First-Principles Approach to Next- Generation Electronic and Spintronic Materials
WITHDRAWN: Exploring the Multifunctionality of Ba₂XSbO₆ Double Perovskites: A First-Principles Approach to Next- Generation Electronic and Spintronic Materials Open
In this work, we present a comprehensive first-principles investigation of the structural and electronic properties of Ba₂XSbO₆ (X = Gd, Ce) double perovskites under varying hydrostatic pressure. Calculations were performed using the WIEN2…
View article: Hybrid AI-Based Sales Forecasting Framework
Hybrid AI-Based Sales Forecasting Framework Open
This research explores the utility of advanced artificial intelligence strategies to enhance sales data analysis in the hard financial context of Palestine. Given the area’s chronic political instability, resources, and infrastructure cons…
View article: “Electrocatalytic nitrate reduction to nitrogenous Products: Pathways, catalysts, and mechanisms for ammonia, urea, and amino acid synthesis"
“Electrocatalytic nitrate reduction to nitrogenous Products: Pathways, catalysts, and mechanisms for ammonia, urea, and amino acid synthesis" Open
View article: Effect of Supplementary Cementitious Materials on Corrosion Resistance of Reinforced Concrete
Effect of Supplementary Cementitious Materials on Corrosion Resistance of Reinforced Concrete Open
Reinforced concrete (RC) durability particularly in chloride and sulphate-rich environments is seriously compromised by corrosion. This study explores how Supplementary Cementitious Materials (SCMs) fly ash, silica fume, ground granulated …
View article: Evaluating real time control strategies for UV water treatment pump systems
Evaluating real time control strategies for UV water treatment pump systems Open
View article: Designing high-capacity hydrogen storage materials: DFT insights into Ca-based complex hydrides MCa <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"> <mml:mrow> <mml:msup> <mml:mi mathvariant="normal">M</mml:mi> <mml:mo>′</mml:mo> </mml:msup> </mml:mrow> </mml:math> H6 (M <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"> <mml:mrow> <mml:mo linebreak="goodbreak" linebreakstyle="after">=</mml:mo> </mml:mrow> </mml:math> Li, Na; <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"> <mml:mrow> <mml:msup> <mml:mi mathvariant="normal">M</mml:mi> <mml:mo>′</mml:mo> </mml:msup> </mml:mrow> </mml:math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"> <mml:mrow> <mml:mo linebreak="goodbreak" linebreakstyle="after">=</mml:mo> </mml:mrow> </mml:math> Co, Rh, Ir)
Designing high-capacity hydrogen storage materials: DFT insights into Ca-based complex hydrides MCa H6 (M Li, Na; Co, Rh, Ir) Open
In this study, density functional theory (DFT) is utilized to explore the structural, electronic, optical, mechanical, thermodynamic, and hydrogen storage properties of MCa M′ H6 (M = Li, Na; M′ = Co, Rh, Ir) double perovskite-type hydride…
View article: Inter‐Rater Disagreements in Applying the Montreal Classification for Crohn's Disease: The Five‐Nations Survey Study
Inter‐Rater Disagreements in Applying the Montreal Classification for Crohn's Disease: The Five‐Nations Survey Study Open
Background The Montreal classification has been widely used in Crohn's disease since 2005 to categorize patients by the age of onset (A), disease location (L), behavior (B), and upper gastrointestinal tract and perianal involvement. With e…
View article: A deep dive into cation-modified structural, mechanical, magneto‑electronic, and thermophysical properties of MAlO3 (M = Ca, Sr, Ba, and Ra): First-principles investigation
A deep dive into cation-modified structural, mechanical, magneto‑electronic, and thermophysical properties of MAlO3 (M = Ca, Sr, Ba, and Ra): First-principles investigation Open
This article presents a first-principles investigation of structural, mechanical, thermophysical, and magneto-electronic properties of MAlO3 (M = Ca, Sr, Ba, and Ra) perovskites, which have not yet been synthesized experimentally. The grou…
View article: Exploring the Structural Stability, Optoelectronic Characteristics, and H2 Storage Efficiency of ZBaGaH6 (Z [[EQUATION]] K, Rb, Cs) Complex Hydrides: A First-Principles Insight
Exploring the Structural Stability, Optoelectronic Characteristics, and H2 Storage Efficiency of ZBaGaH6 (Z [[EQUATION]] K, Rb, Cs) Complex Hydrides: A First-Principles Insight Open
View article: Exploring the Structural Stability, Optoelectronic Characteristics, and H2 Storage Efficiency of Zbagah6 (Z [[Equation]] K, Rb, Cs) Complex Hydrides: A First-Principles Insight
Exploring the Structural Stability, Optoelectronic Characteristics, and H2 Storage Efficiency of Zbagah6 (Z [[Equation]] K, Rb, Cs) Complex Hydrides: A First-Principles Insight Open
View article: Investigation of the physical properties and pressure-induced band gap tuning of Sr3ZBr3 (Z=As, Sb) for optoelectronic and thermoelectric applications: A DFT - GGA and mBJ studies
Investigation of the physical properties and pressure-induced band gap tuning of Sr3ZBr3 (Z=As, Sb) for optoelectronic and thermoelectric applications: A DFT - GGA and mBJ studies Open
This study discusses the feasibility of diversifying the scope of application of lead-free Sr3ZBr3 (Z = As, Sb) as promising materials for their enhanced electronic, mechanical, optical, thermodynamic, and thermoelectric properties using f…
View article: Insights into the pressure-dependent physical properties of cubic Ca3MF3 (M = As and Sb): First-principles calculations
Insights into the pressure-dependent physical properties of cubic Ca3MF3 (M = As and Sb): First-principles calculations Open
Here, first-principles calculations have been employed to make a comparative study on structural, mechanical, electronic, and optical properties of new Ca3MF3 (M = As and Sb) photovoltaic compounds under pressure. The…
View article: FP-LAPW study of structural, magnetic, electronic, elastic, and thermoelectric properties of CoCrS Half-Heusler compound
FP-LAPW study of structural, magnetic, electronic, elastic, and thermoelectric properties of CoCrS Half-Heusler compound Open
The present article has utilized the WIEN2k computational code to examine the structural, elastic, electronic, magnetic, thermoelectric, and dynamic aspects of the CoCrS Half-Heusler (HH) compound. In this work, calculations have been perf…
View article: Ab Initio Investigation of the Structural, Elastic, Dynamic, Electronic, and Magnetic Properties of Cubic Perovskite CeCrO<sub>3</sub>
Ab Initio Investigation of the Structural, Elastic, Dynamic, Electronic, and Magnetic Properties of Cubic Perovskite CeCrO<sub>3</sub> Open
We presented the results of various aspects related to structural, elastic, electronic, dynamic, and magnetic parameters of cubic perovskite CeCrO3 by means of the full-potential linearized augmented plane wave (FP-LAPW) approac…
View article: Unraveling Lead-Free Fr-Based Perovskites Frqcl3 (Q = Ca, Sr) and its Pressure Induced Physical Properties: Dft Analysis for Advancing Optoelectronic Performance
Unraveling Lead-Free Fr-Based Perovskites Frqcl3 (Q = Ca, Sr) and its Pressure Induced Physical Properties: Dft Analysis for Advancing Optoelectronic Performance Open
View article: Pre-Treatment and Optimization of Coal Bottom Ash-Coal Fly Ash Waste as a Sustainable Cement Replacement
Pre-Treatment and Optimization of Coal Bottom Ash-Coal Fly Ash Waste as a Sustainable Cement Replacement Open
View article: Complex impedance analysis of silver-phosphate glassy system doped with different concentrations of silver iodide
Complex impedance analysis of silver-phosphate glassy system doped with different concentrations of silver iodide Open
View article: Mechanical, magneto-electronic and thermoelectric properties of Ba<sub>2</sub>MgReO<sub>6</sub> and Ba<sub>2</sub>YMoO<sub>6</sub> based cubic double perovskites: an ab initio study
Mechanical, magneto-electronic and thermoelectric properties of Ba<sub>2</sub>MgReO<sub>6</sub> and Ba<sub>2</sub>YMoO<sub>6</sub> based cubic double perovskites: an ab initio study Open
We report an analysis of the structural, electronic, mechanical, and thermoelectric properties of oxide double perovskite structures, specifically the compounds Ba 2 MgReO 6 and Ba 2 YMoO 6 . Our study employs first-principles density func…
View article: Tuning the bandgap of cubic and orthorhombic BaZrS3 by substituting sulfur with selenium
Tuning the bandgap of cubic and orthorhombic BaZrS3 by substituting sulfur with selenium Open
In this paper, by using density functional theory (DFT), the structural, electronic, and optical properties of cubic and orthorhombic perovskites BaZrS3−xSex are explored. The lattice parameters increase when the substitution of S/Se atoms…
View article: DFT-based investigation of electronic-structure, magnetic and thermoelectric properties of Dy<sub>2</sub>CoMnO<sub>6</sub> double perovskite
DFT-based investigation of electronic-structure, magnetic and thermoelectric properties of Dy<sub>2</sub>CoMnO<sub>6</sub> double perovskite Open
The density functional theory as a computational approach was used to explore the ferrimagnetic semiconducting behavior of Dy 2 CoMnO 6 double perovskite compound in both spin-up and spin-down directions. Thermodynamic stability was confir…
View article: Structural, Elastic, Electronic, and Magnetic Properties of Full-Heusler Alloys Sc2TiAl and Sc2TiSi Using the FP-LAPW Method
Structural, Elastic, Electronic, and Magnetic Properties of Full-Heusler Alloys Sc2TiAl and Sc2TiSi Using the FP-LAPW Method Open
In this article, the structural, elastic, electronic, and magnetic characteristics of both regular and inverse Heusler alloys, Sc2TiAl and Sc2TiSi, were investigated using a full-potential, linearized augmented plane-wave (FP-LAPW) method,…
View article: Structural, electronic, magnetic, and optical investigations of sodium chalcogenides: First-principles calculations
Structural, electronic, magnetic, and optical investigations of sodium chalcogenides: First-principles calculations Open
The electronic, magnetic, and optical properties of NaS and NaSe compounds have been studied by using first-principles calculations based on density-functional theory and full-potential linearized augmented plane-wave method. The Perdew–Bu…
View article: Utilizing Thermal Power Plant Bottom Ash as a Cement Replacement: Emphasis on Compressive Strength of Cement Paste
Utilizing Thermal Power Plant Bottom Ash as a Cement Replacement: Emphasis on Compressive Strength of Cement Paste Open
View article: The Electronic, Optical, Thermoelectric, and Structural Properties of a Cubic Double Perovskite X2agbibr6 (X=Li, Na, K, Rb, Cs): Ab-Initio Calculation
The Electronic, Optical, Thermoelectric, and Structural Properties of a Cubic Double Perovskite X2agbibr6 (X=Li, Na, K, Rb, Cs): Ab-Initio Calculation Open
View article: The Structural, Electronic, Magnetic and Elastic Properties of Full-Heusler Co2CrAl and Cr2MnSb: An Ab Initio Study
The Structural, Electronic, Magnetic and Elastic Properties of Full-Heusler Co2CrAl and Cr2MnSb: An Ab Initio Study Open
In this paper, the full-potential, linearized augmented plane wave (FP-LAPW) method was employed in investigating full-Heusler Co2CrA1’s structural, elastic, magnetic and electronic properties. The FP-LAPW method was employed in computing …
View article: Theoretical prediction of doping iron ions effect on the optoelectronic and magnetic cobalt-based perovskite (Co<sub>1-x</sub>Fe<sub>x</sub>ScO<sub>3</sub>)
Theoretical prediction of doping iron ions effect on the optoelectronic and magnetic cobalt-based perovskite (Co<sub>1-x</sub>Fe<sub>x</sub>ScO<sub>3</sub>) Open
The ab-initio framework has taken place by means of the Full-potential Linear Augmented Plane-Wave (FP-LAPW) method, using the modified Becke-Johnson exchange potential approximation. This modified method was carried out to study the effec…
View article: <i>Pulicaria undulata</i> Extract-Mediated Eco-Friendly Preparation of TiO<sub>2</sub> Nanoparticles for Photocatalytic Degradation of Methylene Blue and Methyl Orange
<i>Pulicaria undulata</i> Extract-Mediated Eco-Friendly Preparation of TiO<sub>2</sub> Nanoparticles for Photocatalytic Degradation of Methylene Blue and Methyl Orange Open
Eco-friendly approaches for the preparation of nanomaterials have recently attracted considerable attention of scientific community due to rising environmental distresses. The aim of the current study is to prepare titanium dioxide (TiO
View article: Structural, electronic, mechanical, and dynamical properties of scandium carbide
Structural, electronic, mechanical, and dynamical properties of scandium carbide Open