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Theoretical defect engineering in AgBiI4 for enhanced photovoltaic performance
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Silver-bismuth iodide (ABI) ternary semiconductors, such as AgBi2I7, AgBiI4, Ag2BiI5, and Ag3BiI6, have emerged as promising lead-free light absorbers for photovoltaic applications due to their favorable optoelectronic properties. Despite recent advances that have improved power conversion efficiencies from ∼1% to over 5%, ABI-based solar cells still show substantial open-circuit voltage (VOC) losses of up to ∼1 V, which significantly hinder the device performance. These losses have been experimentally attributed to the non-radiative recombination originating from intrinsic defects, however, theoretical understanding of these defect mechanisms remains limited. Here, using density functional theory calculations, we systematically investigate the defect properties of AgBiI4. We identify the dominant intrinsic defects as acceptor-like Ag vacancies (VAg) and AgBi antisites, as well as donor-like Ag interstitials (Agi) and BiAg antisites. Among these defects, VAg and AgBi are shallow defects, while Agi and BiAg create deep trap states. Our calculations reveal that I-rich synthesis conditions with a carefully balanced Ag/Bi ratio are essential to suppressing the formation of deep defects and mitigating non-radiative recombinations. These insights provide theoretical guidance for defect modulation in ABI compounds and highlight AgBiI4 as a model system for understanding defect physics in ABI photovoltaic materials.

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Publication Date
Sun Nov 30 2025
Journal Name
Iraqi Journal Of Science
Design, Biological and Theoretical Study of New Mixed Ligands Complexes of Schiff Base Derived from Sulfabenzamide and 1,10-phenanthroline
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     A new Schiff base ligand was prepared via a condensation reaction. The synthesis involved combining N-(4-aminophenylsulfonyl) benzamide (also known as sulfabenzamide) with indoline-2,3-dione. To facilitate the reaction, three drops of glacial acetic acid were added. This process yielded the ligand N-(4-(2-oxoindoline-3-ylideneamino) phenylsulfonyl) benzamide, designated as (L). Mixed ligand complexes were prepared in a molar ratio (1:1:1) (M:1,10-phen, L) at concentrations of 10-4M by interacting L and 1,10-phenanthroline, with the following metal ions (Cr+3, Mn+2, Zn+2, Pd+2, Cd+2, Pt+4). These complexes exhibited different geometric shapes, including (octahedral for both Cr+3, Mn+2, Pt+4, tetrahedral for Zn+2 and Cd+2, an

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Publication Date
Mon May 01 2023
Journal Name
Journal Of Molecular Liquids
On the influence of hydrocarbons solvents on the inhibition efficiency of some organic corrosion inhibitors: Theoretical and validation studies
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Publication Date
Thu Dec 31 2020
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
THE IMPACT OF ETHICAL LEADERSHIP BEHAVIOR IN UNIVERSITY PERFORMANCE- STUDY EXPLORATORY AT SUMER UNIVERSITY: THE IMPACT OF ETHICAL LEADERSHIP BEHAVIOR IN UNIVERSITY PERFORMANCE- STUDY EXPLORATORY AT SUMER UNIVERSITY
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The aim of the study was to find out the correlations and impact between the variable of ethical leadership behavior and university performance at Sumer University. Use the descriptive analytical method by adopting the questionnaire tool to collect data. The questionnaire was distributed electronically to 113 teachers at Sumer University and the response was from 105 teachers. The research results showed that there is a correlation and effect relationship between the search variables. In addition, the responding university does not have ethically defined standards in terms of performance of the work of the cadres working there. Finally, the research presented a set of recommendations aimed at tackling problems in the ethical lead

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Publication Date
Sun Dec 31 2023
Journal Name
Sports Culture
The impact of skill exercises incorporated into the combined training method in the development of special physical abilities and Endurance performance tolerance for futsal players
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Abstract Physical requirements are an important priority for the development of football gymnastics coaches because the nature of performance is interconnected and interconnected in terms of the player's duties in the match. In the gameplay situations, the player must perform the skill with strength and speed coupled with accuracy and the reactions of the colleague and competitor alike, which represents the normal reality of the football gymnasium Skilled exercises are one of the most suitable technical side exercises as they are built according to the components of the skill requirements of the game and the nature of its performance, which appear on the gro

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Publication Date
Sat Jan 01 2022
Journal Name
Ibero-american Journal Of Exercise And Sports psychology
THE EFFECT OF HIIT EXERCISES ON SOME PHYSIOLOGICAL AND PHYSICAL INDICATORS IN REDUCING COMPETITION ANXIETY AND PERFORMANCE OF SOME OFFENSE SKILLS FOR YOUNG BADMINTON ATHLETES
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The research aimed to use HIIT exercises, and to know the effect of HIIT exercises on some physiological and physical indicators of the young badminton players, and to identify the degree of competition anxiety and the performance of some offense skills among the young badminton players. The research community (the young badminton players), the research sample and its selection method (the research sample was chosen by the intentional method (8) badminton player from the Athwari Club), the scientific method (the experimental method with pre and post tests), measurement tools: physiological tests (high and low blood pressure) , pulse, and physical exams (explosive force of arms and legs) and the offense skills and the scale of competit

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Publication Date
Sun Dec 28 2014
Journal Name
Journal Of Physical Education
Setting standards for the quality of the performance scale school Aariyadah from the viewpoint of supervisors (specialists and technicians) in the districts of Baghdad breeding
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To achieve excellence in the quality of performance in school sports administration, which has suffered a lot of problems and constraints on the administrative system, supervision and education level as well as the regulatory environment and available resources available and contribute to the provision of some processors and overcome difficulties to participate in the formation of the individual good of itself and society through sports activities. Hence the importance came this study to create a reference to the quality of the performance criteria school sports from the perspective of supervisors (specialists and technicians) in the districts of breeding Baghdad, to be of help to all those involved in school sports and maintaining an excep

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Publication Date
Tue Oct 18 2022
Journal Name
Revista Iberoamericana De Psicología Del Ejercicio Y El Deporte.
The effect of HIIT exercises on some physiological and physical indicators in reducing competition anxiety and performance of some offense skills for young Badminton athletes
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The research aimed to use HIIT exercises, and to know the effect of HIIT exercises on some physiological and physical indicators of the young badminton players, and to identify the degree of competition anxiety and the performance of some offense skills among the young badminton players. The research community (the young badminton players), the research sample and its selection method (the research sample was chosen by the intentional method (8) badminton player from the Athwari Club), the scientific method (the experimental method with pre and post tests), measurement tools: physiological tests (high and low blood pressure) , pulse, and physical exams (explosive force of arms and legs) and the offense skills and the scale of competition an

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Publication Date
Sun Jun 26 2022
Journal Name
International Journal Of Corrosion And Scale Inhibition
Theoretical and experimental studies of copper(II) and nickel(II) complexes derived from the ligand N-benzyl benzimidazole as corrosion inhibitors in ionic and bacterial media
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Publication Date
Tue Feb 01 2022
Journal Name
Baghdad Science Journal
Theoretical and Experimental Study of Corrosion Behavior of Carbon Steel Surface in 3.5% NaCl and 0.5 M HCl with Different Concentrations of Quinolin-2-One Derivative
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A theoretical and protection study was conducted of the corrosion behavior of carbon steel surface with different concentrations of the derivative (Quinolin-2-one), namely 7-Ethyl-4-methyl-1-[(4-nitro-benzylidene)-amino]-1H-quinolin-2-one (EMNQ2O). Theoretically, Density Functional Theory (DFT) of B3LYP/ 6-311++G/ 2d, 2p level was carried out to calculate the geometrical structure, physical properties and chemical inhibition chemical parameters, with the local reactivity in order to predict both the reactive centers and to know the possible sites of nucleophilic and electrophilic attacks, in vacuum and two solvents (DMSO and H2O), all at the equilibrium geometry. Experimentally, the inhibition efficiencies (%IE) in (3.5% NaCl)

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Publication Date
Tue Mar 30 2021
Journal Name
Journal Of Economics And Administrative Sciences
Employing the indicators of stereotypes and the dimensions of organizational clarity and their role in achieving the planned organizational behavior Analytical study on a sample of workers in some departments of the Faculties of Engineering, University of
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The current research examines the employment of indicators of stereotypes and the dimensions of organizational clarification to achieve planned organizational behaviour on a sample of employees in a number of departments of the Faculties of Engineering, University of Kufa, for a sample of (122) teaching staff. This research proposes the use of positive indicators of stereotypes for both the organization and employees and their awareness of what they want to obtain and what should be done for both parties and the removal of organizational clarity represented by the functional dimension that explores to what degree the employee's understanding of the internal strategy of the organization and the strategic dimension that searches fo

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