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104 ta ish

Ish: Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion

  1. Vibrational and transport phenomenon in Cs2CdZnCl6 double perovskite: A DFT study

    Nazia Erum, Ramesh Sharma, Hamid Ullah +3

    Maqola20236 iqtibos
    ABI

  2. Explored the potential of Rb2SeX6 (X=Cl, Br) double perovskites for energy harvesting devices: A DFT study

    Mumtaz Manzoor, Aparna Dixit, Muhammad Waqas Iqbal +6

    Maqola20246 iqtibos
    ABI

  3. A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies

    Aparna Dixit, Jisha Annie Abraham, Mumtaz Manzoor +3

    Maqola20246 iqtibos
    ABI

  4. Tailoring the physical, optoelectronic and transport properties of novel lead-free Sodium perovskites Na2TeX6 (X = Cl, Br, I) using DFT computation for photovoltaic and thermal devices

    Mumtaz Manzoor, Mukhtiar Hussain, Muhammad Aslam +4

    Maqola20246 iqtibos
    ABI

  5. A DFT Insight on the physical, optoelectronic and thermoelectric characteristics of half-Heusler NaZn(N/P) compounds for power generation applications

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4

    Maqola20256 iqtibos
    ABI

  6. Photocatalytic Water Splitting: Recent Progress and Future Challenges

    Kazuhiko Maeda, Kazunari Domen

    Maqola20105 iqtibos
    ABI

  7. Exploring the structural, electronic, optical, and thermoelectric properties of potassium-based double perovskites K2AgXI6 (X = Sb, Bi) compounds: A DFT study

    Mumtaz Manzoor, Muhammad Waqas Iqbal, N.A. Noor +3

    Maqola20225 iqtibos
    ABI

  8. DFT insights on the opto-electronic and thermoelectric properties of double perovskites K2AgSbX6 (X = Cl, Br) via halides substitutions for solar cell applications

    Muhammad Waqas Iqbal, Mumtaz Manzoor, Soumaya Gouadria +6

    Maqola20235 iqtibos
    ABI

  9. Tuning optoelectronic and thermoelectric attributes of Na2GeX6 (X = Br, Cl) halide double perovskites for high-efficiency solar cells applications

    Anjali Kumari, Aparna Dixit, Jisha Annie Abraham +6

    Maqola20245 iqtibos
    ABI

  10. Probing the physical properties of M<sub>2</sub>LiCeF<sub>6</sub> (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework

    Nasir Rahman, Abdur Rauf, Mudasser Husain +9

    Maqola20234 iqtibos
    ABI

  11. 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

  12. Electronic structure and optical response of double perovskite Rb2NaCoF6 for optoelectronic devices

    Moeen Ud Din, Junaid Munir, Muhammad Jamil +2

    Maqola20214 iqtibos
    ABI

  13. Exploring the physical properties of novel double perovskites A2InAsO6 (A=Sr, Ba) for renewable energy applications: Ab-initio calculations

    Anjali Kumari, Jisha Annie Abraham, Mumtaz Manzoor +4

    Maqola20244 iqtibos
    ABI

  14. Band gap engineering of novel double perovskites Na2LiYX6 (X=Cl, Br) through halide ion replacement for solar cell and energy harvesting applications

    Nazia Erum, Javed Ahmad, Mumtaz Manzoor +2

    Maqola20244 iqtibos
    ABI

  15. Density functional theory based modelling on the physical properties of CsInAgAsX6 (X = Cl, Br) double perovskite for green energy applications

    Mumtaz Manzoor, M. Jamil, Lakshita Sehgal +2

    Maqola20254 iqtibos
    ABI

  16. Investigated the structural, optoelectronic, mechanical, and thermoelectric properties of Sr <sub>2</sub> BTaO <sub>6</sub> (B = Sb, Bi) for solar cell applications

    Mumtaz Manzoor, Debidatta Bahera, Ramesh Sharma +3

    Maqola20224 iqtibos
    ABI

  17. 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

  18. The physical attributes of rubidium-based Rb2TlRhF6 double perovskite halide: A first-principles investigation

    Saif M. H. Qaid, Hudabia Murtaza, Quratul Ain +4

    Maqola20243 iqtibos
    ABI

  19. Exploring the impact of strain on the electronic and optical properties of inorganic novel cubic perovskite Sr<sub>3</sub>PI<sub>3</sub>

    Md. Ferdous Rahman, Md. Harun‐Or‐Rashid, Md. Rasidul Islam +7

    Maqola20233 iqtibos
    ABI

  20. Dynamical Theory Of Crystal Lattices

    Max Born, Kun Huang

    Kitob19963 iqtibos
    ABI

  21. Comprehensive first principles to investigate optoelectronic and transport phenomenon of lead-free double perovskites Ba2AsBO6 (B Nb, Ta) compounds

    Mumtaz Manzoor, Debidatta Behera, Ramesh Sharma +3

    Maqola20243 iqtibos
    ABI

  22. Probing the Optoelectronic and Thermoelectric Performance of Inorganic Halide Perovskite Rb2KInI6 for Renewable Energy Applications via DFT Computations

    Mumtaz Manzoor, Jisha Annie Abraham, Ramesh Sharma +5

    Maqola20243 iqtibos
    ABI

  23. Computational Prediction on the Stability, Opto-electronic and Thermoelectric Properties of Double Perovskite Compound Sr2CrBiO6: a First Principles Investigation

    Jisha Annie Abraham, Mumtaz Manzoor, Ramesh Sharma +4

    Maqola20243 iqtibos
    ABI

  24. Tailoring the structural, elastic, electronic, and optical properties of Cs2ScCuX6 (X = Cl and F) double perovskite compounds via density functional theory (DFT)

    Gohar Ayub, Nasir Rahman, Mudasser Husain +6

    Maqola20243 iqtibos
    ABI

  25. A computational approach to study optoelectronic thermoelectric behavior of ternary zinc Aluminates ZnAl2X4 (X = S, Se, Te) for low-cost energy technologies

    Ramesh Sharma, Mumtaz Manzoor, Sabah Ansar +2

    Maqola20243 iqtibos
    ABI