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Ish: Lead-Free Double Halide Perovskite Compounds: Unveiling the Structural, Optoelectronic, and Transport Properties of A2TlRhF6 (A = K, Rb) for Robust and Sustainable Green Energy Applications

  1. BoltzTraP. A code for calculating band-structure dependent quantities

    Georg K. H. Madsen, David J. Singh

    Maqola200637 iqtibos
    ABI

  2. A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +3

    Maqola202418 iqtibos
    ABI

  3. 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

    Maqola202415 iqtibos
    ABI

  4. 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

    Maqola202413 iqtibos
    ABI

  5. First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications

    Ejaz Ahmad Khera, Abrar Nazir, Mumtaz Manzoor +4

    Maqola202412 iqtibos
    ABI

  6. 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 Physics202411 iqtibos
    ABI

  7. Opportunities and challenges for a sustainable energy future

    Steven Chu, Arun Majumdar

    Maqola201211 iqtibos
    ABI

  8. Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl<sub>3</sub> via DFT‐mBJ + SOC Studies

    Ejaz Ahmad Khera, Abrar Nazir, Zubair Ahmed +5

    Maqola202410 iqtibos
    ABI

  9. A DFT Approach to Study the Vacancy Ordered lead free Double Inorganic Perovskites Na2PtX6 (X = Cl, Br) for Sustainable Technologies

    Ammar M. Tighezza, Abrar Nazir, Ejaz Ahmad Khera +3

    Maqola202410 iqtibos
    ABI

  10. Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method

    Q. Mahmood, Taher Ghrib, Amani Rached +2

    Maqola20209 iqtibos
    ABI

  11. Screening the structural, optoelectronic and thermoelectric features of novel inverse perovskites X3MgNa (X= Cl, Br and I): A theoretical investigation

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4

    Maqola20249 iqtibos
    ABI

  12. Probing the opto-electronic, thermoelectric, thermodynamic and elastic responses of lead-free double perovskite Li2ATlCl6 (A = Na and K) for potential photovoltaic and high- energy applications: A DFT study

    Qiguo Xiao, Abrar Nazir, Ejaz Ahmad Khera +5

    Maqola20249 iqtibos
    ABI

  13. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    MaqolaAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 iqtibos
    ABI

  14. Thermoelectric generators: A review of applications

    Daniel Champier

    Sharh maqola20178 iqtibos
    ABI

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

    Matthias Ernzerhof, Gustavo E. Scuseria

    Maqola19997 iqtibos
    ABI

  16. Improving the efficiency of FP-LAPW calculations

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

    Maqola20006 iqtibos
    ABI

  17. Figure of merit ZT of a thermoelectric device defined from materials properties

    G. Jeffrey Snyder, Alemayouh H. Snyder

    Maqola20176 iqtibos
    ABI

  18. A DFT Approach to Insight on the Structural, Optoelectronic and Thermoelectric Properties of Cubic Perovskites YXO3 (X = Ga, In) for Renewable Energy Applications

    Khalid A. Alrashidi, Aparna Dixit, Abrar Nazir +5

    Maqola20245 iqtibos
    ABI

  19. Convergence of electronic bands for high performance bulk thermoelectrics

    Yanzhong Pei, Xiaoya Shi, Aaron D. LaLonde +3

    Maqola20114 iqtibos
    ABI

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

    V. G. Tyuterev, Nathalie Vast

    Maqola20064 iqtibos
    ABI

  21. Exploring the lead-free halide Cs2MGaBr6 (M = Li, Na) double perovskites for sustainable energy applications

    Mudasir Younis Sofi, Mohd. Shahid Khan, Javid Ali +1

    Maqola20244 iqtibos
    ABI

  22. ab initio study of oxygen vacancy effects on structural, electronic and thermoelectric behavior of AZr1-xMxO3 (A = Ba, Ca, Sr; M= Al, Cu, x = 0.25) for application of memory devices

    Ejaz Ahmad Khera, Hafeez Ullah, Muhammad Imran +8

    Maqola20203 iqtibos
    ABI

  23. A review on heat sink for thermo-electric power generation: Classifications and parameters affecting performance

    Ali Elghool, Firdaus Basrawi, Thamir K. Ibrahim +3

    Sharh maqola20163 iqtibos
    ABI

  24. A comprehensive theoretical analysis of the physical attributes of cesium-based Cs2LiTlCl6 double perovskites for eco-friendly technologies

    Hudabia Murtaza, Quratul Ain, Junaid Munir +4

    Maqola20243 iqtibos
    ABI

  25. Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B = Rb, In, Na and B'=Ir, As, Rh): A first-principles investigation

    Hudabia Murtaza, Qurat Ul Ain, Junaid Munir +4

    Maqola20243 iqtibos
    ABI