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Работы, на которые ссылается эта работа

Работ: 40

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

  1. 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

    Статья2024Цитирований: 15
    ABI

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

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

    Статья2019Цитирований: 14
    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

    Статья2024Цитирований: 13
    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

    СтатьяPerovskite Materials and ApplicationsChemical Physics2024Цитирований: 11
    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

    Статья2024Цитирований: 7
    ABI

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

    Matthias Ernzerhof, Gustavo E. Scuseria

    Статья1999Цитирований: 7
    ABI

  7. 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

    СтатьяChalcogenide Semiconductor Thin FilmsJournal of Inorganic and Organometallic Polymers and Materials2025Цитирований: 6
    ABI

  8. Improving the efficiency of FP-LAPW calculations

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

    Статья2000Цитирований: 6
    ABI

  9. 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

    Статья2015Цитирований: 6
    ABI

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

    Meryem Ziati, Naoual Bekkioui, H. Ez‐Zahraouy

    Статья2021Цитирований: 5
    ABI

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

    V. G. Tyuterev, Nathalie Vast

    Статья2006Цитирований: 4
    ABI

  12. Intriguing Optoelectronic Properties of Metal Halide Perovskites

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

    Обзорная статья2016Цитирований: 4
    ABI

  13. 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

    Статья2024Цитирований: 4
    ABI

  14. 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

    Статья2025Цитирований: 4
    ABI

  15. 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

    Статья2021Цитирований: 3
    ABI

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

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

    Статья2024Цитирований: 3
    ABI

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

    Nourreddine Sfina, Nasir Rahman, Soufyane Belhachi +8

    Статья2024Цитирований: 3
    ABI

  18. 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

    Статья2024Цитирований: 3
    ABI

  19. Structure and environmental impact of global energy consumption

    Selçuk Bilgen

    Статья2014Цитирований: 2
    ABI

  20. 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

    Статья2024Цитирований: 2
    ABI

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

    Masoofa Akhtar, Faisal Katib Alanazi, Muhammad Sajid +10

    Статья2025Цитирований: 2
    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

    Статья2021Цитирований: 2
    ABI

  23. Без названия

    ДругоеЦитирований: 1
    ABI

  24. Без названия

    ДругоеЦитирований: 1
    ABI

  25. Без названия

    ДругоеЦитирований: 1
    ABI