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40 ta ish

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

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

    Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4

    MaqolaOchiq kirish201918 iqtibos
    ABI

  2. 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

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3

    MaqolaOchiq kirish202416 iqtibos
    ABI

  3. 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

    Maqola202414 iqtibos
    ABI

  4. 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

    MaqolaPerovskite Materials and ApplicationsChemical Physics202413 iqtibos
    ABI

  5. 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

    Maqola20249 iqtibos
    ABI

  6. 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

    Maqola20159 iqtibos
    ABI

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

    Matthias Ernzerhof, Gustavo E. Scuseria

    Maqola19998 iqtibos
    ABI

  8. Improving the efficiency of FP-LAPW calculations

    Max Petersen, Frank R. Wagner, Lars Hufnagel +3

    MaqolaOchiq kirish20008 iqtibos
    ABI

  9. 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

    MaqolaChalcogenide Semiconductor Thin FilmsJournal of Inorganic and Organometallic Polymers and Materials20256 iqtibos
    ABI

  10. 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

    Maqola20246 iqtibos
    ABI

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

    Meryem Ziati, Naoual Bekkioui, H. Ez‐Zahraouy

    Maqola20215 iqtibos
    ABI

  12. 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

    Maqola20245 iqtibos
    ABI

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

    Kiran Riaz, Nidhal Drissi, Sahar Abdalla +7

    Maqola20255 iqtibos
    ABI

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

    Nasir Rahman, Mudasser Husain, Ahmed Azzouz‐Rached +11

    Maqola20244 iqtibos
    ABI

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

    V. G. Tyuterev, Nathalie Vast

    Maqola20064 iqtibos
    ABI

  16. Intriguing Optoelectronic Properties of Metal Halide Perovskites

    Joseph S. Manser, Jeffrey A. Christians, Prashant V. Kamat

    Sharh maqolaOchiq kirish20164 iqtibos
    ABI

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

    Jaffer Saddique, Mudasser Husain, Nasir Rahman +9

    Maqola20213 iqtibos
    ABI

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

    Nourreddine Sfina, Nasir Rahman, Soufyane Belhachi +8

    Maqola20243 iqtibos
    ABI

  19. 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

    Soufyane Belhachi, Mohammed Benali Kanoun, Souraya Goumri‐Said

    Maqola20243 iqtibos
    ABI

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

    Masoofa Akhtar, Faisal Katib Alanazi, Muhammad Sajid +10

    Maqola20253 iqtibos
    ABI

  21. Structure and environmental impact of global energy consumption

    Selçuk Bilgen

    Maqola20142 iqtibos
    ABI

  22. 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

    Muhammad Iqbal Hussain, R.M. Arif Khalil, Fayyaz Hussain

    Maqola20212 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI