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Иш: DFT driven insights into physical, opto-electronic attributes of novel layered Sr2MO4 (M = Hf, Ti, V) perovskites for advanced solar cell applications

A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A2YAuI6 (A = Rb, Cs) for solar cell and renewable energy applications
Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3
Мақола202415 иқтибос
ABI
New tolerance factor to predict the stability of perovskite oxides and halides
Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4
Мақола201914 иқтибос
ABI
Tunable opto-electronic and thermoelectric response of alkali based half-Heusler semiconductors AMgN (A = Rb, Cs) for sustainable energy: A computational approach
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2
Мақола202413 иқтибос
ABI
Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations
Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4
МақолаPerovskite Materials and ApplicationsChemical Physics202411 иқтибос
ABI
Optoelectronic and thermoelectric properties of new lead-free K2NaSbZ6 (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study
Abderrazak Boutramine, Samah Al‐Qaisi, Saidi Samah +6
Мақола20247 иқтибос
ABI
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
Matthias Ernzerhof, Gustavo E. Scuseria
Мақола19997 иқтибос
ABI
Role of Anion Variation in Physical Properties of Novel Vacancy Ordered Ga2PtX6 (X = Br and I) for Solar Cell and Thermoelectric Applications
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +5
МақолаChalcogenide Semiconductor Thin FilmsJournal of Inorganic and Organometallic Polymers and Materials20256 иқтибос
ABI
Improving the efficiency of FP-LAPW calculations
Max Petersen, Frank R. Wagner, Lars Hufnagel +3
Мақола20006 иқтибос
ABI
Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
I.B. Obot, Digby D. Macdonald, Zuhair M. Gasem
Мақола20156 иқтибос
ABI
Ruddlesden-Popper compound Sr2TiO4 doped with chalcogens for optoelectronic applications: Insights from first-principle calculations
Meryem Ziati, Naoual Bekkioui, H. Ez‐Zahraouy
Мақола20215 иқтибос
ABI
Murnaghan’s equation of state for the electronic ground state energy
V. G. Tyuterev, Nathalie Vast
Мақола20064 иқтибос
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Intriguing Optoelectronic Properties of Metal Halide Perovskites
Joseph S. Manser, Jeffrey A. Christians, Prashant V. Kamat
Шарҳ мақола20164 иқтибос
ABI
First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology
Nasir Rahman, Mudasser Husain, Younas Ahmad +13
Мақола20244 иқтибос
ABI
Computational Exploration of Structural, Elastic, Optoelectronic and Magnetic Properties of A2YHgCl6 (A = Cs, K) Using Enhanced Computational Techniques
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Мақола20254 иқтибос
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Modeling structural, elastic, electronic and optical properties of ternary cubic barium based fluoroperovskites MBaF3 (M = Ga and In) compounds based on DFT
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Мақола20213 иқтибос
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Theoretical investigations of double perovskites Rb2YCuX6 (X =Cl, F) for green energy applications: DFT study
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Мақола20243 иқтибос
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Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT
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Мақола20243 иқтибос
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DFT Insights on the Future Prospects of Ba2PrXO6 (X = Ir, Pt) Double Perovskites for High-Energy Applications
Nasir Rahman, Khamael M. Abualnaja, Soufyane Belhachi +8
Мақола20243 иқтибос
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Structure and environmental impact of global energy consumption
Selçuk Bilgen
Мақола20142 иқтибос
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Unveiling the potential of CuAlxGa1−xSe2 (x = 0.25) chalcopyrite as absorbent for photovoltaic application: first-principles insights into the structural, elastic, mechanical, electronic, thermodynamic and optical properties
Soufyane Belhachi, Mohammed Benali Kanoun, Souraya Goumri‐Said
Мақола20242 иқтибос
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Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach
Masoofa Akhtar, Faisal Katib Alanazi, Muhammad Sajid +10
Мақола20252 иқтибос
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Computational Exploration of Structural, Electronic, and Optical Properties of Novel Combinations of Inorganic Ruddlesden–Popper Layered Perovskites Bi2XO4(X = Be, Mg) using Tran and Blaha‐Modified Becke–Johnson Approach for Optoelectronic Applications
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Ушбу иш иқтибос қилган ишлар

A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications

New tolerance factor to predict the stability of perovskite oxides and halides

Tunable opto-electronic and thermoelectric response of alkali based half-Heusler semiconductors AMgN (A = Rb, Cs) for sustainable energy: A computational approach

Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

Optoelectronic and thermoelectric properties of new lead-free K2NaSbZ6 (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

Role of Anion Variation in Physical Properties of Novel Vacancy Ordered Ga2PtX6 (X = Br and I) for Solar Cell and Thermoelectric Applications

Improving the efficiency of FP-LAPW calculations

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

Ruddlesden-Popper compound Sr2TiO4 doped with chalcogens for optoelectronic applications: Insights from first-principle calculations

Murnaghan’s equation of state for the electronic ground state energy

Intriguing Optoelectronic Properties of Metal Halide Perovskites

First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology

Computational Exploration of Structural, Elastic, Optoelectronic and Magnetic Properties of A2YHgCl6 (A = Cs, K) Using Enhanced Computational Techniques

Modeling structural, elastic, electronic and optical properties of ternary cubic barium based fluoroperovskites MBaF3 (M = Ga and In) compounds based on DFT

Theoretical investigations of double perovskites Rb2YCuX6 (X =Cl, F) for green energy applications: DFT study

Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT

DFT Insights on the Future Prospects of Ba2PrXO6 (X = Ir, Pt) Double Perovskites for High-Energy Applications

Structure and environmental impact of global energy consumption

Unveiling the potential of CuAl<sub>x</sub>Ga<sub>1−x</sub>Se<sub>2</sub> (x = 0.25) chalcopyrite as absorbent for photovoltaic application: first-principles insights into the structural, elastic, mechanical, electronic, thermodynamic and optical properties

Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach

Computational Exploration of Structural, Electronic, and Optical Properties of Novel Combinations of Inorganic Ruddlesden–Popper Layered Perovskites Bi<sub>2</sub>XO<sub>4</sub>(X = Be, Mg) using Tran and Blaha‐Modified Becke–Johnson Approach for Optoelectronic Applications

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