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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
Tue Mar 03 2026
Journal Name
International Journal Of Engineering Pedagogy (ijep)
Design of a Hybrid AI-Driven Engineering Model for Energy-Efficient and Sustainable Educational Systems
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A substantial percentage of the world’s energy consumption (almost 40%) and carbon dioxide (CO2) emissions (around 37%) come from the construction industry, especially schools. This work presents a new hybrid artificial intelligence (AI) engineering model that aims to maximize energy performance on campuses in a holistic way. Modules for data-driven forecasting, metaheuristic optimization, and real-time adaptive control are all part of the concept. A thorough energy simulation of a university campus building is used in conjunction with the AI model to assess its performance through a co-simulation framework. Findings show that yearly peak electricity demand may be reduced by 18.7% and total site energy consumption by 22.4% when co

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Publication Date
Tue Jun 01 2021
Journal Name
Baghdad Science Journal
Experimental and Theoretical Study of Neomycin Sulfate as Corrosion Protection for Titanium in Acid Media
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        The experimental and theoretical methods were studied for inhibition of the corrosion titanium in HCl by using neomycin sulfate drug. The results of neomycin sulfate drug had good corrosion protection for titanium in hydrochloric acid and the inhibition efficiency (%IE) increasing with increasing concentration of drug because the neomycin sulfate drug had adsorption from acid solution on surface of titanium metal. The program of hyperchem-8.07 was used for theoretical study of the drug by molecular mechanics and semi-empirical calculations. Quantum chemical was studied drug absorption and electron transferred from the drug to the Titanium metal, also inhibition potentials of drug attachment with the (LUMO-HOMO) energy gap,

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Publication Date
Mon Nov 09 2020
Journal Name
Journal Of The Optical Society Of America B
Theoretical study of silicon-based Bragg mirrors for cavity QED applications
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We conducted a theoretical study on the potential use of amorphous hydrogenated silicon (a-Si:H) as the high-index material in quarter-wave-stack Bragg mirrors for cavity quantum electrodynamics applications. Compared to conventionally employed T a 2

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Publication Date
Fri Jan 05 2018
Journal Name
Asian Quarterly: An International Journal Of Contemporary Issue
Refugees and the Challenges for Language Education (LE): A Theoretical Study
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DBN Rashid, Asian Quarterly: An International Journal of Contemporary Issue, 2018

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Publication Date
Tue Jan 02 2018
Journal Name
Journal Of Educational And Psychological Researches
Suicide (theoretical study)
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Statistics indicate criminal in most countries of the world that the suicide rate continues to increase, as it prevalence manufacturing and complexity of life and the intensification of conflicts and escalating problems of rising suicide rates. And suicide is death intentional, that is, the intentional act that leads to ending the life of the individual and self-on purpose. The current research aims to identify the suicide in terms of its causes and its factors and come up with recommendations for the prevention of suicide. Because suicide is a life-threatening problem has tried several theories of interpretation and stand on its grounds. Considering the theories of psychoanalysis (Freud) that suicide is the result of the individ

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Publication Date
Tue Aug 01 2023
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Energy generation by crystalline silicon photovoltaic network per meter square in Iraq
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<span lang="EN-US">Iraqi people have been without energy for nearly two decades, even though their geographic position provides a high intensity of radiation appropriate for the construction of solar plants capable of producing significant quantities of electricity. Also, the annual sunny hours in Iraq are between 3,600 to 4,300 hours which makes it perfect to use the photovoltaics arrays to generate electricity with very high efficiency compared to many countries, especially in Europe. This paper shows the amount of electric energy generated by the meter square of crystalline silicon in the photovoltaic (PV) array that already installed in 18 states in Iraq for each month of the year. The results of the meter-square of PV arr

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Publication Date
Tue Oct 01 2024
Journal Name
Journal Of Engineering
A Comprehensive Review for Integrating Petrophysical Properties, Rock Typing, and Geological Modeling for Enhanced Reservoir Characterization
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Reservoir characterization is an important component of hydrocarbon exploration and production, which requires the integration of different disciplines for accurate subsurface modeling. This comprehensive research paper delves into the complex interplay of rock materials, rock formation techniques, and geological modeling techniques for improving reservoir quality. The research plays an important role dominated by petrophysical factors such as porosity, shale volume, water content, and permeability—as important indicators of reservoir properties, fluid behavior, and hydrocarbon potential. It examines various rock cataloging techniques, focusing on rock aggregation techniques and self-organizing maps (SOMs) to identify specific and

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Publication Date
Thu Jan 01 2026
Journal Name
Bioresource Technology
Hybrid Sono-Electro-Fenton (SEF) process driven by photovoltaic (PV) energy for sustainable hospital effluent treatment
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Publication Date
Tue Oct 18 2022
Journal Name
Bulletin Of Materials Science
Highly crystalline anatase TiO2 nanotubes array films enhanced with Bi2S3 for photoelectrochemical applications
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Publication Date
Sun Nov 01 2020
Journal Name
2020 2nd Annual International Conference On Information And Sciences (aicis)
An Enhanced Multi-Objective Evolutionary Algorithm with Decomposition for Signed Community Detection Problem
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